data_2d8x_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 2d8x _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.37 143.67 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -91.95 -37.8 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 51.3 tp60 -48.85 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -87.05 -43.0 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.92 -37.45 3.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -45.57 152.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -75.45 138.38 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 19' ' ' VAL . 10.6 mt -85.95 129.33 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -127.77 112.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.8 -73.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.439 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 2.6 ttt85 -115.68 121.25 41.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 15' ' ' ILE . 3.9 t -114.55 114.82 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -87.33 105.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -81.61 119.32 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.61 162.5 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp 41.69 31.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 36.1 m120 63.61 42.87 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 76.8 m-20 -165.45 160.75 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.631 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.4 p -89.65 144.59 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -147.48 173.06 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -89.96 157.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -2.0 9.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.72 -22.37 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.7 m -76.07 -56.94 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 7.1 t80 -58.8 86.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 48.0 mtp180 -119.7 166.15 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.6 t -58.07 164.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -103.63 1.44 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.1 -33.39 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.95 -5.6 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.5 mm-40 53.51 50.61 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.44 129.81 46.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.6 t -47.57 114.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 48.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.11 -52.07 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -47.14 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 pt -62.46 -26.37 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.18 169.48 34.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -133.64 169.94 16.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.2 t -134.54 111.91 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -66.95 120.65 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -152.15 131.71 13.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.9 31.65 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.31 29.71 73.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -135.49 143.21 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 113.2 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.76 166.43 16.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 56' ' ' ARG . 22.4 p -100.76 148.33 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.4 mmm180 -34.87 -53.02 1.08 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.98 -65.09 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.0 m -60.28 -66.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 58' ' ' CYS . 6.1 t60 -36.47 -46.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -61.28 -40.7 95.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' CYS . 70.4 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.41 140.88 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -90.47 -38.38 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.21 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.83 -42.04 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 -37.94 3.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.52 152.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.85 138.94 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.474 ' CG2' HG22 ' A' ' 19' ' ' VAL . 10.2 mt -87.41 130.36 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 mt -129.12 109.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.05 -73.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -117.04 119.05 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 15' ' ' ILE . 7.0 t -113.18 118.44 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -91.38 109.07 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -83.68 118.38 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.96 166.68 32.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp 39.9 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 52.8 t-20 68.2 44.7 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 67.8 m-20 -168.57 165.73 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 35.4 p -90.09 145.05 25.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.47 172.74 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -90.22 157.9 44.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.6 7.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -125.02 -26.8 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 37.2 m -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 28.4 t80 -60.72 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 38.9 mtp180 -123.99 171.08 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.1 t -63.3 168.05 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.6 t70 -105.48 -3.77 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -118.12 -34.12 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -124.87 -4.18 7.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.9 mm-40 51.47 53.21 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 17.8 tt0 -102.24 128.56 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.29 112.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.1 mt -103.03 47.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.64 -52.76 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -92.19 -39.7 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.24 -26.95 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.1 166.45 39.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.402 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 23.9 p90 -127.28 171.6 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG11 ' CD2' ' A' ' 59' ' ' HIS . 40.1 t -137.12 105.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.26 115.39 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -144.78 135.3 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.02 34.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.49 34.3 84.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -142.24 143.21 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.509 ' H ' ' CD2' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -85.73 108.91 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 6.3 mt -118.03 169.34 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.3 p -102.69 148.7 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 15.3 mtm180 -36.74 -52.01 1.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -48.02 -60.75 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.6 m -63.83 -67.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.532 ' CD2' HG11 ' A' ' 47' ' ' VAL . 79.8 t60 -38.56 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-20 -78.42 -41.77 32.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.3 ptm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 t -63.98 143.72 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -91.04 -38.52 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 31.6 tp60 -46.73 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.31 -44.02 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.93 -37.44 3.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.35 150.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -70.95 138.81 50.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.435 ' CG2' HG22 ' A' ' 19' ' ' VAL . 13.0 mt -88.03 132.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -131.29 115.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.54 -76.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -114.73 122.93 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.5 t -117.41 118.59 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.48 105.11 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -80.97 116.96 21.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -155.02 164.12 39.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.043 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.4 mmm 40.69 32.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 51.7 m-80 62.28 43.85 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -165.91 160.96 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.0 p -89.28 147.8 23.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.3 m95 -150.37 171.02 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -87.5 157.7 52.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.27 8.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 18.1 pt-20 -124.06 -31.24 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.1 m -65.31 -60.92 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 16.9 t80 -51.33 97.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 33.9 mtt85 -125.66 165.62 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.72 159.01 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -101.8 13.44 34.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -131.28 -36.16 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -123.98 -11.52 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 64.45 54.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.56 132.53 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -47.36 115.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 2.8 mt -104.17 34.04 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.42 -54.1 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -87.85 -55.43 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 8.3 pt -61.56 -17.46 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.92 177.16 44.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 19.5 p90 -124.45 170.85 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.525 HG12 ' CG ' ' A' ' 59' ' ' HIS . 39.2 t -133.4 99.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.91 135.49 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -167.71 125.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.42 39.81 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.94 30.6 77.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -139.52 145.1 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.25 110.69 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -113.94 171.77 7.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ARG . 23.1 p -102.96 149.74 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -35.59 -52.89 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -48.02 -61.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -61.66 -66.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.525 ' CG ' HG12 ' A' ' 47' ' ' VAL . 84.7 t60 -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 65.5 m-20 -61.18 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' CYS . 77.9 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -62.78 142.61 58.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -90.12 -39.38 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 tp60 -46.46 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.61 -41.92 14.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.15 -37.43 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -45.68 153.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.95 136.91 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CG2' HG23 ' A' ' 19' ' ' VAL . 11.8 mt -85.53 133.41 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.1 mt -132.3 115.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.81 -72.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -117.57 121.25 40.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 15' ' ' ILE . 7.6 t -116.98 118.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.2 104.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -80.95 116.98 21.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.54 167.65 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.465 ' HE2' ' N ' ' A' ' 53' ' ' HIS . 10.4 mtp 39.98 29.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 80.1 m-20 64.71 44.27 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.2 m-80 -168.67 162.86 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.646 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.0 p -89.76 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -148.59 171.8 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -88.66 158.12 48.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.22 6.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -125.92 -25.88 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 26.4 m -73.08 -54.83 7.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 5.7 t80 -59.01 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.599 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.8 mtp180 -124.49 165.47 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.27 167.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -106.21 -1.71 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 18.4 mt -118.4 -34.19 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.99 -6.22 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 28.9 mm-40 54.62 54.94 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -105.2 131.14 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.3 t -43.62 114.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.57 35.2 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -59.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -80.67 -47.63 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 pt -71.3 -25.42 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.18 170.69 47.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -125.1 171.87 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.5 112.46 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.76 124.54 19.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -157.58 131.98 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 43.91 33.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 34.89 88.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.71 140.75 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -84.84 110.5 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.33 172.64 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.6 p -105.18 148.07 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.3 mtp180 -35.75 -52.69 1.47 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.0 Cg_exo -47.93 -65.93 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.0 m -57.16 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' CYS . 46.5 t60 -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 17.6 m-20 -54.02 -41.61 68.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' CYS . 62.8 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -60.64 143.14 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -92.09 -36.52 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 20.6 tp60 -49.9 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.82 -46.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.44 -35.14 3.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.6 151.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -73.14 139.84 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 19' ' ' VAL . 9.4 mt -88.33 130.27 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.14 116.06 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.85 -74.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -116.65 120.58 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 15' ' ' ILE . 7.8 t -113.36 118.85 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -90.94 102.57 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -79.05 116.26 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.68 167.24 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 53' ' ' HIS . 13.3 mtp 38.78 32.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.6 m120 62.12 45.11 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 50.6 m-20 -168.57 162.82 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.9 p -89.4 146.28 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.11 172.56 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -89.68 157.9 45.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.551 0.691 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -0.83 7.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.6 pt-20 -124.21 -29.21 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.2 m -68.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 13.1 t80 -47.68 90.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 33.5 mtt85 -121.36 165.88 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -61.12 156.58 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.52 12.31 36.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.22 -35.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -123.75 -8.64 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 58.92 54.95 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -108.24 129.28 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -45.49 111.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -99.62 38.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -55.5 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.43 -52.99 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.9 pt -59.09 -25.84 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.01 157.19 28.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.406 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 4.9 p90 -118.33 175.7 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.1 t -135.34 120.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.19 112.82 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -144.74 135.65 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.56 35.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.1 36.76 93.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -142.99 140.65 31.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -84.91 110.39 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 mt -120.72 175.57 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.443 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.7 p -107.11 147.77 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 17.4 mtm180 -36.06 -52.33 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.98 -59.5 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.5 m -66.83 -68.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' CYS . 28.8 t60 -36.18 -34.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.5 m-20 -69.25 -45.18 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 58' ' ' CYS . 12.3 ptt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -66.92 143.41 56.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -91.62 -38.14 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.85 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -87.77 -44.18 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.55 -34.28 4.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.28 152.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -73.5 141.04 46.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' A' ' 19' ' ' VAL . 12.7 mt -89.19 128.52 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -127.47 113.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.1 -74.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -116.03 122.38 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 15' ' ' ILE . 4.3 t -114.53 116.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.53 109.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.56 118.48 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -156.03 162.3 40.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.4 mtp 42.99 27.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.92 41.2 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 75.7 m-20 -163.12 161.07 24.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 97.6 p -90.02 144.96 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -148.02 172.26 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.71 157.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.18 8.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 4.7 pt-20 -123.89 -28.79 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.5 m -68.07 -62.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -49.76 91.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtt85 -120.08 167.65 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -63.77 158.29 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.05 11.57 39.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -131.3 -34.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.83 -9.26 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 59.22 54.83 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -108.55 129.89 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.2 t -46.89 113.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 3.1 mt -103.51 45.27 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.91 -50.16 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.25 -50.21 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.0 pt -58.27 -28.89 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.34 171.36 30.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -135.56 167.75 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 42.0 t -134.53 107.22 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -61.18 118.81 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -148.41 132.1 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 47.56 32.56 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.32 30.21 71.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -136.09 148.62 48.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.38 112.55 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 mt -121.47 166.84 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -101.21 149.34 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.1 mtt180 -37.46 -51.7 2.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.96 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.9 m -60.2 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 83.3 t60 -40.95 -42.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 38.4 m-20 -63.06 -40.14 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' CYS . 38.0 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.69 143.88 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.63 -35.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 41.3 tp60 -52.72 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.13 -47.18 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.86 -36.6 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.01 159.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -81.6 132.46 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 19' ' ' VAL . 13.3 mt -83.77 130.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.47 115.87 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.76 -71.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 6.9 ttt180 -118.31 119.84 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 15' ' ' ILE . 7.3 t -115.8 116.86 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -88.06 103.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -80.25 117.3 20.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.12 162.4 41.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmm 43.02 28.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 66.04 41.21 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 61.4 m-80 -162.77 161.53 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 24.0 p -89.74 146.69 24.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.9 m95 -149.8 171.32 16.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -88.19 157.99 50.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 7.9 pt-20 -123.86 -33.61 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.4 m -63.02 -61.54 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 18.2 t80 -49.35 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.1 mtt85 -122.31 165.19 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.1 t -58.55 164.26 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.62 9.25 33.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.81 -35.1 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -124.32 -7.95 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 59.24 54.99 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -108.7 128.05 54.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.2 t -41.91 115.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 3.4 mt -104.47 34.97 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.72 -54.47 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.7 -52.43 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 pt -58.63 -20.67 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.68 160.83 14.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -111.63 167.84 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 56.7 t -132.85 106.43 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -48.63 135.74 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -169.19 119.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.65 33.88 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.38 27.31 71.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -136.32 146.52 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.17 111.22 22.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.52 172.12 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.1 p -101.56 149.54 24.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.4 mmm-85 -35.92 -52.57 1.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.7 Cg_exo -47.94 -59.86 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 77.3 m -63.75 -69.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.558 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 86.1 t60 -35.25 -42.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 68.9 m-20 -64.1 -44.86 91.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 37.3 mtt-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.04 144.7 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -92.59 -34.83 13.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 17.7 tp60 -53.95 -68.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -91.1 -47.74 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.55 -37.11 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -43.65 156.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.56 132.94 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 19' ' ' VAL . 14.4 mt -82.91 132.95 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -133.89 118.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.34 -74.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -116.93 117.8 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 15' ' ' ILE . 11.4 t -111.08 119.64 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -90.9 101.36 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -78.54 115.6 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.81 163.22 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp 42.09 30.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 64.96 41.65 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.1 m-80 -163.91 161.49 22.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.1 p -90.44 144.25 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -147.46 171.48 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -87.49 157.0 53.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.54 8.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 8.8 pt-20 -122.05 -34.2 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.4 m -63.19 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 7.3 t80 -52.23 92.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.8 mtt85 -122.9 166.22 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.8 t -60.93 166.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.04 0.67 25.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -123.17 -32.88 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -125.66 -4.71 7.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 26.7 mm-40 52.54 54.12 11.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 6.5 tt0 -104.51 129.54 52.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.5 t -43.82 112.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.7 mt -100.85 40.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.74 -55.9 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.6 -51.58 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 45' ' ' GLY . 46.3 pt -57.76 -32.41 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 102.37 176.32 27.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.418 ' C ' HG23 ' A' ' 47' ' ' VAL . 8.8 p90 -139.2 166.88 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 61.0 t -138.14 106.2 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -54.3 135.61 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -164.99 126.94 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.48 34.93 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.23 32.78 76.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -139.64 145.93 39.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -89.17 116.57 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -123.5 157.04 34.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.44 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 25.0 p -94.24 149.75 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.7 mtt180 -36.24 -52.29 1.71 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -47.97 -62.75 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.4 m -60.99 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.51 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 80.0 t60 -36.03 -40.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 59.6 m-20 -68.79 -43.28 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 67.1 mtt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -65.96 143.93 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -91.87 -38.9 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -46.22 -68.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.23 -44.04 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.34 -37.35 2.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.51 150.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.79 139.92 47.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -89.21 130.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.53 118.47 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.47 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -117.22 119.77 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.2 t -112.6 117.94 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -89.81 104.01 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -79.91 115.77 19.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.57 163.73 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 mtp 41.3 31.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.21 43.05 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.5 m-80 -166.13 161.67 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.669 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.5 p -89.4 146.31 24.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.669 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -149.09 174.18 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -90.47 156.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.4 Cg_endo -69.75 -2.07 9.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.54 -23.93 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 23.6 m -73.67 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.36 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' CYS . 62.5 mtm180 -116.97 174.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 10.2 t -63.19 168.68 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.24 -4.31 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -118.39 -34.47 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.7 p -124.24 -1.85 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.481 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 14.4 mm-40 48.68 55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 18.0 tt0 -103.53 119.9 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 21.1 t -39.64 110.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 1.2 mt -101.94 38.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.49 -54.6 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.04 -57.28 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.6 pt -47.37 -29.17 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.19 166.3 30.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -133.45 164.05 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.86 100.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.02 134.31 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -163.58 130.64 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.36 37.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 33.54 86.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.85 147.68 39.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.01 117.74 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.89 158.01 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -97.7 149.3 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mtm180 -36.75 -52.04 1.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 63.7 Cg_exo -47.91 -62.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -61.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -38.4 -46.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 66.5 m-20 -61.33 -39.77 91.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' CYS . 55.1 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.63 142.5 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -91.51 -38.83 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.2 tp-100 -47.19 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.87 -42.24 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.66 -38.19 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.2 152.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.07 139.82 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -88.92 132.73 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.16 111.03 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.12 -74.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -116.52 121.97 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 t -116.71 120.38 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -92.11 104.99 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -79.88 115.55 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . . . -152.56 166.2 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 38.98 32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 9.1 m120 62.97 44.88 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ALA . 63.5 m-20 -167.67 163.94 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.2 p -89.87 146.71 24.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.54 172.41 15.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -89.73 157.91 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -1.71 8.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.368 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -123.97 -24.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.3 m -74.78 -58.89 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 32.8 t80 -52.49 83.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 62.1 mtm180 -117.27 170.48 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.01 167.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.42 -1.64 24.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -120.16 -33.94 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 p -125.32 -2.03 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 10.5 mm-40 50.22 55.0 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -104.89 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -37.99 111.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -101.79 39.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.73 -51.45 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.11 -53.79 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 pt -60.74 -14.82 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 173.92 36.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -125.58 171.2 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.23 97.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 121.45 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -154.12 134.24 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.11 28.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.42 36.22 63.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -143.98 139.34 29.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -82.14 110.2 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.54 167.16 11.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.464 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.4 p -101.31 149.02 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.9 mmt180 -37.02 -51.88 2.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.0 Cg_exo -48.01 -65.45 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.9 m -58.0 -69.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 39.9 t60 -35.66 -47.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-20 -55.19 -45.42 75.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' CYS . 51.1 mtp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.1 t -61.38 145.37 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -93.4 -39.63 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -46.5 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.56 -43.71 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.3 -39.0 2.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -44.27 151.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -74.39 138.27 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG2' HG22 ' A' ' 19' ' ' VAL . 17.4 mt -87.01 132.55 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.0 mt -131.21 116.0 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.39 -73.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.1 122.99 45.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG22 ' CG2' ' A' ' 15' ' ' ILE . 9.7 t -115.76 119.13 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.65 103.73 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -80.27 117.48 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.75 162.44 41.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.82 28.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.57 42.02 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.0 m-20 -163.36 162.04 24.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.665 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 27.1 p -90.19 145.04 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -148.55 176.45 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.451 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.6 m80 -93.25 157.68 38.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -1.42 8.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 15.5 pt-20 -122.91 -32.51 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.91 -60.02 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 8.7 t80 -52.41 93.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.1 mtt85 -124.16 167.8 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.2 t -62.59 167.32 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.96 -0.98 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -120.96 -32.86 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -126.12 -4.6 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.426 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 27.7 mm-40 52.54 54.87 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.1 tt0 -105.59 129.02 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.7 t -43.26 113.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.1 mt -101.7 41.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.18 -61.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.16 -49.41 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.7 pt -56.78 -32.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 101.79 174.62 28.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -139.1 163.95 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 HG11 ' CD2' ' A' ' 59' ' ' HIS . 46.2 t -134.68 101.39 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.93 137.96 20.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -168.55 130.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.8 36.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.5 34.08 88.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -140.81 147.0 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -90.73 117.75 29.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.03 157.24 34.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -94.67 147.46 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.5 mmm180 -35.31 -52.51 1.26 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.4 Cg_exo -48.02 -64.91 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 94.4 m -57.68 -67.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.463 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -36.6 -45.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 52.4 m-20 -59.53 -41.01 89.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 97.5 mtt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.38 145.8 53.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -92.09 -38.24 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -49.3 -70.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -88.72 -46.86 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.87 -36.91 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -42.56 158.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -81.58 130.93 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.8 mt -82.42 131.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mt -131.96 117.22 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.75 -73.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -116.91 118.37 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 15' ' ' ILE . 13.1 t -113.73 119.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -89.46 102.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -79.01 115.71 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 46' ' ' PHE . . . -153.16 160.91 42.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.421 ' HE3' ' N ' ' A' ' 53' ' ' HIS . 9.9 mtp 44.18 26.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 69.03 39.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.1 m-80 -161.47 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.667 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.2 p -90.92 143.75 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -148.07 173.82 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 15' ' ' ILE . 27.7 m80 -89.93 157.17 46.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.2 8.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -123.46 -26.51 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 20.8 m -72.23 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -54.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 41.5 mtp180 -127.03 155.34 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 t -45.89 156.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -99.2 12.64 35.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.66 -36.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -121.98 -11.89 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.5 mm-40 62.24 53.71 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -105.8 127.05 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -42.03 120.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mt -112.58 39.33 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.96 13.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -106.02 -47.63 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 45' ' ' GLY . 12.0 pt -69.14 -24.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.05 172.29 41.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 11.0 p90 -130.84 171.56 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 40.3 t -134.36 103.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -50.64 133.89 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -167.25 114.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.21 44.02 19.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.52 23.19 62.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -126.75 159.72 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.421 ' N ' ' HE3' ' A' ' 23' ' ' MET . 1.5 p-80 -111.13 106.74 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.62 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.433 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.9 p -105.52 149.52 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 9.6 mtt180 -38.0 -51.64 3.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.97 -58.23 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.6 m -66.01 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 78.9 t60 -39.8 -37.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 31.9 m-20 -68.26 -45.92 71.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.73 144.72 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -92.94 -39.32 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp-100 -46.3 -68.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.47 -43.89 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.88 -37.25 3.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.94 150.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -72.78 138.43 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 19' ' ' VAL . 18.9 mt -87.89 131.02 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 mt -130.03 117.31 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -116.73 123.3 46.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.356 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 15' ' ' ILE . 4.7 t -116.27 120.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -91.89 103.43 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -77.61 113.59 15.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.57 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.487 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 8.3 mmm 40.37 45.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.487 ' CG ' ' C ' ' A' ' 23' ' ' MET . 0.1 OUTLIER 50.47 45.32 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 58.3 m-80 -168.9 159.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.8 p -87.51 148.19 25.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.7 m95 -149.47 173.53 13.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' HG12 ' A' ' 15' ' ' ILE . 24.3 m80 -91.04 157.79 42.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -124.76 -26.71 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.8 m -71.3 -56.83 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.5 t80 -58.31 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 39.9 mtp180 -125.43 165.05 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 9.6 t -55.17 168.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.1 -5.18 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.11 -35.92 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.6 p -122.19 -5.08 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 25.3 mm-40 52.75 54.85 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.3 tt0 -104.88 131.18 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -42.04 117.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 4.2 mt -106.86 37.52 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.07 -57.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -87.33 -55.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 45' ' ' GLY . 36.8 pt -56.12 -30.18 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 88.46 171.53 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -123.72 172.62 8.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.48 HG12 ' CD2' ' A' ' 59' ' ' HIS . 48.7 t -136.3 106.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HD3' ' SD ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -51.65 126.51 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 17.8 t-20 -156.33 125.92 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 45.22 36.37 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.77 69.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -139.61 142.3 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.69 109.93 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.02 168.76 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' ARG . 23.3 p -99.02 149.39 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.7 mmm-85 -35.2 -52.98 1.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -47.99 -65.62 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.4 m -58.09 -65.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.48 ' CD2' HG12 ' A' ' 47' ' ' VAL . 86.0 t60 -36.81 -45.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 20.8 m-20 -57.59 -41.92 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 82.1 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.71 141.0 45.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -91.32 -38.08 12.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.92 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -86.36 -41.23 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.0 -36.06 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.431 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -46.67 152.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -76.79 138.21 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG2' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -87.4 129.74 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.6 mt -127.82 107.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.5 -72.74 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 3.1 ttt85 -117.4 119.21 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 15' ' ' ILE . 5.7 t -114.31 117.42 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 mm -88.47 106.71 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -82.52 116.29 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.85 167.44 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.6 mtp 39.07 32.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 5.4 m-80 62.57 44.71 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 59.9 m-20 -168.56 163.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.642 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 39.6 p -89.73 146.22 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.8 m95 -149.88 171.02 17.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -88.4 158.43 48.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 0.42 5.69 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -127.63 -27.14 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 52.1 m -71.0 -52.89 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 10.6 t80 -60.01 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.601 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 40.9 mtp180 -123.98 168.08 13.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.5 t -59.04 167.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -106.0 -1.11 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -119.99 -33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -125.55 -5.63 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 29.9 mm-40 54.15 54.05 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -103.55 130.43 50.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -43.84 114.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.35 43.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.25 -57.21 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.99 -36.75 18.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 pt -78.08 -23.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.65 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 12.1 p90 -124.76 169.5 11.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 48.6 t -134.33 100.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -48.09 122.16 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 44.5 t-20 -149.36 130.46 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 36.37 36.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -144.25 140.79 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -83.39 109.74 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.8 mt -118.06 170.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.44 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.4 p -102.95 148.06 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.3 mmm-85 -35.32 -52.69 1.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.97 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.373 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.4 m -57.74 -65.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.501 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 74.2 t60 -38.41 -37.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.8 m-20 -67.31 -40.8 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' CYS . 24.4 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -66.7 145.05 55.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -92.18 -39.25 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 56.1 tp60 -45.69 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.84 -44.18 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.01 -35.03 3.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -47.93 151.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.62 138.76 46.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 19' ' ' VAL . 13.6 mt -87.25 130.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mt -129.99 114.84 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.63 -75.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -116.18 123.24 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 15' ' ' ILE . 8.0 t -114.58 120.8 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.51 106.95 18.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -83.01 115.45 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -154.21 163.09 40.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.8 mmm 40.97 32.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 38.2 m-80 62.37 44.18 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 65.8 m-80 -166.53 161.96 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.7 p -89.68 146.84 24.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.1 m95 -150.44 171.61 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -87.93 157.35 51.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 9.3 pt-20 -123.13 -31.11 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 m -66.87 -63.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.9 t80 -48.03 88.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' CYS . 31.0 mtt85 -120.23 166.43 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.9 t -60.64 158.13 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.41 11.98 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -130.43 -34.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.36 -10.28 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 62.26 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -108.4 131.63 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.5 t -46.48 114.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -102.88 41.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.7 -50.84 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.01 -48.03 7.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.97 -35.61 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 161.97 33.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -114.17 172.19 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.19 109.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.86 116.29 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 45.9 t-20 -149.94 127.51 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.28 36.0 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.57 30.31 76.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.32 141.67 41.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -85.95 107.97 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.6 mt -115.53 168.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 p -101.92 149.64 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.0 mtp180 -35.97 -52.53 1.57 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -48.03 -65.14 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.8 m -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' CYS . 43.2 t60 -38.16 -47.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 27.5 m-20 -55.29 -41.98 73.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' CYS . 93.8 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.14 143.11 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.503 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 26.0 t60 -92.46 -36.24 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp60 -52.23 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -84.81 -43.4 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.23 -33.96 4.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.18 149.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -70.52 133.33 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 27' ' ' TRP . 12.7 mt -85.88 130.07 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.92 119.61 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.96 -71.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -118.33 109.09 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.409 ' CG1' ' OG ' ' A' ' 26' ' ' SER . 3.3 t -106.29 126.46 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -99.44 112.6 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -86.5 120.41 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -160.25 162.66 33.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 mmm 41.89 28.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 66.65 42.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 57.5 m-80 -165.52 159.54 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.666 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 42.2 t -89.66 146.21 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -148.65 173.86 12.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.41 156.79 53.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.2 6.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.468 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.3 pt-20 -124.38 -32.59 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.6 m -63.97 -62.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 10.3 t80 -50.72 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 34.7 mtt85 -121.76 163.14 19.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.57 156.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.7 12.39 35.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -131.77 -35.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.01 -9.58 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 60.89 55.03 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.2 127.08 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.4 t -41.39 116.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 3.0 mt -105.01 38.95 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.54 -48.15 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -93.66 -46.77 7.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 45' ' ' GLY . 49.0 pt -68.87 -34.05 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 96.12 173.37 35.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.403 ' C ' HG21 ' A' ' 47' ' ' VAL . 13.1 p90 -123.41 174.65 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 59' ' ' HIS . 59.0 t -138.33 105.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.34 122.7 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -160.08 128.11 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.0 36.66 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.02 73.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -138.57 142.81 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 112.11 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' VAL . 1.1 mt -116.43 165.55 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.4 p -96.55 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -36.28 -52.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.9 Cg_exo -47.94 -65.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -57.51 -69.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 47' ' ' VAL . 47.6 t60 -34.06 -47.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -56.35 -44.96 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' CYS . 98.1 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.21 142.97 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.356 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -91.04 -36.06 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -51.33 -72.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.65 -47.11 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.18 -36.26 2.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.58 160.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -83.78 133.09 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 ' CG2' HG22 ' A' ' 19' ' ' VAL . 12.5 mt -84.39 132.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.02 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.94 -73.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -115.48 115.47 26.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 15' ' ' ILE . 6.1 t -112.57 117.98 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.19 104.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -80.3 116.21 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -155.37 164.5 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 mmm 42.19 32.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 62.16 41.8 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 55.8 m-80 -166.15 163.04 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 18.7 p -88.33 147.97 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.59 171.17 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -88.79 157.74 48.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.49 8.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.0 pt-20 -124.19 -26.52 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.5 m -71.12 -61.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 14.2 t80 -51.15 97.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.9 mtt85 -129.85 169.77 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 t -65.26 157.42 29.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -100.02 12.31 37.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -131.03 -35.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.4 -9.14 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 60.06 54.97 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -106.68 128.73 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -44.76 113.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 3.5 mt -103.39 39.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.31 -57.91 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.56 -49.6 6.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 45' ' ' GLY . 19.4 pt -59.73 -27.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 91.0 168.06 41.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.447 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 22.1 p90 -126.14 170.72 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 59' ' ' HIS . 21.9 t -135.19 105.77 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -49.02 140.16 9.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 22.8 t-20 -170.28 113.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.17 40.9 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.08 28.51 73.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -132.99 146.17 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -93.77 109.98 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 2.3 mt -117.04 164.72 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.7 p -101.47 149.82 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 21.9 mtt-85 -37.64 -51.76 2.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.97 -58.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -66.88 -66.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.568 ' CD2' HG13 ' A' ' 47' ' ' VAL . 78.1 t60 -37.44 -34.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.6 m-20 -70.71 -43.09 69.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.0 ptm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.06 144.7 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -91.01 -39.84 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.4 tp-100 -47.11 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.59 -46.72 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.01 2.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -43.79 160.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -82.55 133.81 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -84.28 131.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.4 mt -132.43 116.22 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.9 -73.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -115.4 116.38 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 15' ' ' ILE . 6.7 t -110.68 115.24 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -88.48 101.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -78.03 119.51 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.07 161.84 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.61 29.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 44.1 m-20 65.84 42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 68.1 m-80 -164.07 160.58 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.643 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 20.7 p -89.61 144.57 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -147.74 176.75 9.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.4 m80 -94.33 157.21 37.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.9 Cg_endo -69.77 -1.61 8.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.29 -20.67 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.4 m -78.58 -57.43 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -54.82 81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 31' ' ' CYS . 49.7 mtm180 -117.06 169.99 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.4 t -58.53 167.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -105.03 0.12 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -121.72 -37.55 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -120.43 -5.08 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 0.9 OUTLIER 54.08 54.59 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -103.81 120.12 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 13.2 t -42.16 111.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 38.49 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -51.22 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -102.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.9 pt -47.22 -20.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 158.36 31.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -120.59 171.43 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -133.29 99.19 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -54.44 122.96 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -157.26 132.86 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.13 35.2 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.32 31.25 79.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -139.05 144.79 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -88.56 113.95 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -121.61 163.16 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.0 p -100.22 149.43 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.4 mtt85 -36.88 -52.09 2.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.6 Cg_exo -47.93 -63.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.11 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -40.61 -46.46 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -63.57 -39.61 94.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.1 145.17 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -94.91 -38.52 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 38.6 tp60 -48.15 -68.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -90.4 -44.31 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.77 -38.35 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -43.97 150.52 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -73.74 139.09 45.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 19' ' ' VAL . 8.4 mt -88.75 127.94 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.65 109.12 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.02 -74.82 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -117.06 119.8 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 15' ' ' ILE . 6.0 t -114.43 120.59 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -91.59 98.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -77.07 115.47 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.95 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.432 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 6.4 mmm 49.33 29.3 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 21.7 m-20 65.86 32.03 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 1.1 m120 -151.8 158.13 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.645 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 44.7 p -88.3 145.85 25.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -150.93 168.12 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.08 157.46 51.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.3 Cg_endo -69.75 -2.24 9.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.02 -22.16 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' ARG . 34.6 m -76.92 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -54.77 81.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' CYS . 72.6 mtm180 -115.09 175.34 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.9 t -63.08 167.95 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -105.95 0.58 25.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -122.16 -34.19 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -125.0 -5.22 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 16.9 mm-40 54.74 53.91 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 20.1 tt0 -103.64 118.98 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 14.6 t -39.02 110.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.65 39.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.45 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.12 -56.02 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.5 pt -53.54 -32.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.51 168.51 38.53 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -119.2 169.04 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.543 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 58.9 t -132.58 101.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -47.68 126.43 10.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -158.7 119.65 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.71 34.63 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.73 71.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -136.46 142.32 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 109.9 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -119.4 164.26 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.1 p -99.34 148.56 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.0 mtt85 -35.08 -52.9 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.823 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.5 Cg_exo -47.91 -59.03 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.3 m -67.06 -62.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.543 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 78.7 t60 -41.62 -28.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -84.16 -33.97 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.5 ptm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 t -57.52 140.83 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -90.98 -37.86 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 53.6 tp60 -48.62 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -85.93 -39.89 16.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.6 -34.99 4.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -47.98 151.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -75.6 135.22 40.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.474 ' CG2' HG22 ' A' ' 19' ' ' VAL . 10.0 mt -85.66 135.57 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.4 mt -136.08 113.58 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.05 -69.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -119.49 114.0 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.6 t -111.11 124.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mm -95.24 105.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -82.54 116.16 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 32' ' ' PHE . . . -155.91 167.85 29.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.481 ' HE1' ' N ' ' A' ' 53' ' ' HIS . 13.2 mtp 40.02 27.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' ALA . 22.1 m-20 67.12 44.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -167.51 164.56 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 57.4 p -90.77 144.43 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -149.4 175.03 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.6 m80 -92.32 158.09 39.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.84 -27.27 3.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 39.9 m -72.09 -53.11 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 9.3 t80 -60.31 92.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.7 mtp180 -122.8 168.63 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.3 t -60.47 167.85 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 14.7 t70 -106.0 -3.18 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.71 -34.58 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -124.54 -5.2 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.9 mm-40 53.29 54.18 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.22 130.97 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.9 t -45.2 114.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.94 37.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.4 -61.35 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.28 -48.45 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.64 -31.44 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.3 162.4 36.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -119.08 171.25 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -135.33 114.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -58.18 123.85 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.3 t30 -153.39 128.72 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.97 39.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.27 35.62 92.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -142.85 141.78 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -85.1 111.54 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 6.1 mt -119.81 169.38 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ARG . 21.1 p -103.24 148.37 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt-85 -35.06 -53.02 1.14 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.2 Cg_exo -47.98 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.14 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -39.67 -44.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -58.38 -43.93 88.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -151.42 160.0 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -127.79 119.03 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.11 153.66 4.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -100.21 -50.86 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -128.64 102.22 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.81 150.64 18.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.37 143.67 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -91.95 -37.8 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 51.3 tp60 -48.85 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -87.05 -43.0 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.92 -37.45 3.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -45.57 152.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -75.45 138.38 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 19' ' ' VAL . 10.6 mt -85.95 129.33 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -127.77 112.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.8 -73.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 2.6 ttt85 -115.68 121.25 41.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 15' ' ' ILE . 3.9 t -114.55 114.82 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.9 mm -87.33 105.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -81.61 119.32 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.61 162.5 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp 41.69 31.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 36.1 m120 63.61 42.87 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 76.8 m-20 -165.45 160.75 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.631 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.4 p -89.65 144.59 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -147.48 173.06 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -89.96 157.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -2.0 9.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.72 -22.37 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.7 m -76.07 -56.94 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 7.1 t80 -58.8 86.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 48.0 mtp180 -119.7 166.15 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.6 t -58.07 164.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -103.63 1.44 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.1 -33.39 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.95 -5.6 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.5 mm-40 53.51 50.61 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -100.44 129.81 46.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.6 t -47.57 114.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 48.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.11 -52.07 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -47.14 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 pt -62.46 -26.37 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.18 169.48 34.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -133.64 169.94 16.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.2 t -134.54 111.91 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -66.95 120.65 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -152.15 131.71 13.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.9 31.65 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.31 29.71 73.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -135.49 143.21 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 113.2 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.76 166.43 16.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 56' ' ' ARG . 22.4 p -100.76 148.33 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.4 mmm180 -34.87 -53.02 1.08 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.98 -65.09 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.0 m -60.28 -66.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CE1' ' HD3' ' A' ' 63' ' ' LYS . 6.1 t60 -36.47 -46.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -61.28 -40.7 95.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' CYS . 70.4 mtp180 -66.31 -38.44 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.08 -63.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 15.0 pttt -53.37 -28.66 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.84 109.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' GLY . 3.1 m -66.7 132.95 49.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -34.68 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.64 26.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -92.82 96.75 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.7 t -127.46 111.74 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -62.86 174.63 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.9 140.05 15.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.41 86.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -68.46 128.01 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -130.88 101.12 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.54 149.03 18.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.41 140.88 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -90.47 -38.38 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.21 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.83 -42.04 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 -37.94 3.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.52 152.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.85 138.94 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' CG2' HG22 ' A' ' 19' ' ' VAL . 10.2 mt -87.41 130.36 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 mt -129.12 109.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.05 -73.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -117.04 119.05 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 15' ' ' ILE . 7.0 t -113.18 118.44 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -91.38 109.07 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -83.68 118.38 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.96 166.68 32.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp 39.9 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 52.8 t-20 68.2 44.7 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 67.8 m-20 -168.57 165.73 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 35.4 p -90.09 145.05 25.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.47 172.74 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -90.22 157.9 44.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.6 7.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -125.02 -26.8 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 37.2 m -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 28.4 t80 -60.72 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 38.9 mtp180 -123.99 171.08 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.1 t -63.3 168.05 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.6 t70 -105.48 -3.77 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -118.12 -34.12 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -124.87 -4.18 7.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.9 mm-40 51.47 53.21 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 17.8 tt0 -102.24 128.56 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.29 112.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.1 mt -103.03 47.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.64 -52.76 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -92.19 -39.7 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -73.24 -26.95 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.1 166.45 39.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.402 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 23.9 p90 -127.28 171.6 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG11 ' CD2' ' A' ' 59' ' ' HIS . 40.1 t -137.12 105.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.26 115.39 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -144.78 135.3 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.02 34.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.49 34.3 84.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -142.24 143.21 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.509 ' H ' ' CD2' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -85.73 108.91 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 6.3 mt -118.03 169.34 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.3 p -102.69 148.7 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 15.3 mtm180 -36.74 -52.01 1.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -48.02 -60.75 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.6 m -63.83 -67.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' CD2' HG11 ' A' ' 47' ' ' VAL . 79.8 t60 -38.56 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-20 -78.42 -41.77 32.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.3 ptm180 -61.26 -33.01 72.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.82 -67.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ALA . 12.6 ptmm? -48.52 -32.36 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.83 -56.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -102.1 140.45 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.66 -175.06 21.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.49 4.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -53.93 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 t 62.8 43.55 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.488 179.996 . . . . . . . . 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 1.452 -0.272 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -136.03 142.41 44.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -94.55 86.76 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.32 132.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -93.61 123.09 36.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -102.31 91.84 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 152.68 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 t -63.98 143.72 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -91.04 -38.52 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 31.6 tp60 -46.73 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.31 -44.02 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.93 -37.44 3.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.35 150.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -70.95 138.81 50.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.435 ' CG2' HG22 ' A' ' 19' ' ' VAL . 13.0 mt -88.03 132.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -131.29 115.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.54 -76.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -114.73 122.93 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.5 t -117.41 118.59 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.48 105.11 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -80.97 116.96 21.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -155.02 164.12 39.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.043 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.4 mmm 40.69 32.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 51.7 m-80 62.28 43.85 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -165.91 160.96 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.0 p -89.28 147.8 23.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.3 m95 -150.37 171.02 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -87.5 157.7 52.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.27 8.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 18.1 pt-20 -124.06 -31.24 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.1 m -65.31 -60.92 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 16.9 t80 -51.33 97.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 33.9 mtt85 -125.66 165.62 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.2 t -60.72 159.01 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -101.8 13.44 34.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -131.28 -36.16 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -123.98 -11.52 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 64.45 54.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.56 132.53 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.0 t -47.36 115.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 2.8 mt -104.17 34.04 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.42 -54.1 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -87.85 -55.43 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 8.3 pt -61.56 -17.46 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.92 177.16 44.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 19.5 p90 -124.45 170.85 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.525 HG12 ' CG ' ' A' ' 59' ' ' HIS . 39.2 t -133.4 99.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.91 135.49 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -167.71 125.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.42 39.81 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.94 30.6 77.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -139.52 145.1 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.25 110.69 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -113.94 171.77 7.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 56' ' ' ARG . 23.1 p -102.96 149.74 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -35.59 -52.89 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -48.02 -61.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -61.66 -66.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.525 ' CG ' HG12 ' A' ' 47' ' ' VAL . 84.7 t60 -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 65.5 m-20 -61.18 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' CYS . 77.9 mtt180 -65.2 -45.54 84.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.19 -61.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 4.4 ptmm? -50.39 -37.28 36.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.58 120.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t 65.36 41.39 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 170.47 28.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.6 p -44.49 131.84 6.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.1 p -146.37 173.77 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.484 -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 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p 44.2 41.4 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -88.44 95.64 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.91 57.41 6.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -123.58 154.3 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 p -151.47 109.05 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.93 142.91 14.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -62.78 142.61 58.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -90.12 -39.38 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 tp60 -46.46 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.61 -41.92 14.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.15 -37.43 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -45.68 153.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.95 136.91 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' CG2' HG23 ' A' ' 19' ' ' VAL . 11.8 mt -85.53 133.41 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.1 mt -132.3 115.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.81 -72.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -117.57 121.25 40.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 15' ' ' ILE . 7.6 t -116.98 118.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.2 104.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -80.95 116.98 21.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.616 ' CB ' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.54 167.65 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.465 ' HE2' ' N ' ' A' ' 53' ' ' HIS . 10.4 mtp 39.98 29.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 80.1 m-20 64.71 44.27 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.2 m-80 -168.67 162.86 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.646 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.0 p -89.76 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -148.59 171.8 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -88.66 158.12 48.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.22 6.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -125.92 -25.88 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 26.4 m -73.08 -54.83 7.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.616 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 5.7 t80 -59.01 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.599 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.8 mtp180 -124.49 165.47 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.2 t -56.27 167.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -106.21 -1.71 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 18.4 mt -118.4 -34.19 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.99 -6.22 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 28.9 mm-40 54.62 54.94 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -105.2 131.14 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.3 t -43.62 114.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.57 35.2 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -88.31 -59.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -80.67 -47.63 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 pt -71.3 -25.42 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.18 170.69 47.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -125.1 171.87 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -132.5 112.46 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.76 124.54 19.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -157.58 131.98 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 43.91 33.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 34.89 88.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.71 140.75 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -84.84 110.5 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.33 172.64 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.6 p -105.18 148.07 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.3 mtp180 -35.75 -52.69 1.47 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.0 Cg_exo -47.93 -65.93 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.0 m -57.16 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' CYS . 46.5 t60 -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 17.6 m-20 -54.02 -41.61 68.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' CYS . 62.8 mtt180 -62.88 -42.46 99.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.74 -60.74 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.39 -33.61 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.71 -58.08 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 t -72.1 148.34 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.14 -177.13 47.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 128.0 15.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -48.81 125.63 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -92.29 134.62 34.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.983 . . . . . . . . 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 -0.327 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -85.28 -53.86 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 43.51 42.35 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.21 68.93 0.85 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -173.47 168.91 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 23.2 m -100.6 108.82 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.57 20.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -60.64 143.14 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -92.09 -36.52 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 20.6 tp60 -49.9 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.82 -46.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.44 -35.14 3.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.6 151.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 6' ' ' SER . 27.9 t80 -73.14 139.84 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 19' ' ' VAL . 9.4 mt -88.33 130.27 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.14 116.06 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.85 -74.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -116.65 120.58 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 15' ' ' ILE . 7.8 t -113.36 118.85 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -90.94 102.57 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -79.05 116.26 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.68 167.24 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.464 ' HE2' ' N ' ' A' ' 53' ' ' HIS . 13.3 mtp 38.78 32.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.6 m120 62.12 45.11 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 50.6 m-20 -168.57 162.82 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.9 p -89.4 146.28 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.11 172.56 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -89.68 157.9 45.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.551 0.691 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -0.83 7.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.6 pt-20 -124.21 -29.21 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.2 m -68.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 13.1 t80 -47.68 90.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 33.5 mtt85 -121.36 165.88 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -61.12 156.58 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.52 12.31 36.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.22 -35.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -123.75 -8.64 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 58.92 54.95 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -108.24 129.28 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.5 t -45.49 111.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -99.62 38.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.97 -55.5 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.43 -52.99 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.9 pt -59.09 -25.84 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.01 157.19 28.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.406 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 4.9 p90 -118.33 175.7 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.1 t -135.34 120.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.19 112.82 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -144.74 135.65 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.56 35.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.1 36.76 93.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -142.99 140.65 31.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -84.91 110.39 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 mt -120.72 175.57 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.443 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.7 p -107.11 147.77 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 17.4 mtm180 -36.06 -52.33 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.98 -59.5 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.5 m -66.83 -68.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' CYS . 28.8 t60 -36.18 -34.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.5 m-20 -69.25 -45.18 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 58' ' ' CYS . 12.3 ptt180 -57.82 -34.0 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.47 -69.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -48.9 -29.58 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.95 126.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 m 53.99 41.61 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.16 145.77 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -17.54 37.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.6 p -155.96 130.19 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -47.95 -60.49 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.505 -179.936 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -94.0 42.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -134.46 121.79 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.39 -152.18 14.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -117.38 -41.99 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.55 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 1.2 t -146.76 128.0 14.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.19 149.5 19.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -66.92 143.41 56.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -91.62 -38.14 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.85 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -87.77 -44.18 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.55 -34.28 4.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.28 152.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 6' ' ' SER . 29.1 t80 -73.5 141.04 46.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' A' ' 19' ' ' VAL . 12.7 mt -89.19 128.52 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -127.47 113.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.1 -74.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -116.03 122.38 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 15' ' ' ILE . 4.3 t -114.53 116.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.53 109.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.56 118.48 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -156.03 162.3 40.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.4 mtp 42.99 27.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.92 41.2 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 75.7 m-20 -163.12 161.07 24.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 97.6 p -90.02 144.96 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -148.02 172.26 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.71 157.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.18 8.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 4.7 pt-20 -123.89 -28.79 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.5 m -68.07 -62.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -49.76 91.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtt85 -120.08 167.65 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.8 t -63.77 158.29 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.05 11.57 39.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -131.3 -34.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.83 -9.26 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 59.22 54.83 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -108.55 129.89 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.2 t -46.89 113.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 3.1 mt -103.51 45.27 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.91 -50.16 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.25 -50.21 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.0 pt -58.27 -28.89 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.34 171.36 30.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -135.56 167.75 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 42.0 t -134.53 107.22 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -61.18 118.81 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -148.41 132.1 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 47.56 32.56 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.32 30.21 71.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -136.09 148.62 48.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.38 112.55 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 mt -121.47 166.84 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.461 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -101.21 149.34 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.1 mtt180 -37.46 -51.7 2.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.96 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.9 m -60.2 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 83.3 t60 -40.95 -42.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 38.4 m-20 -63.06 -40.14 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' CYS . 38.0 mtt-85 -63.76 -38.48 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.01 -66.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' CE ' ' CD2' ' A' ' 59' ' ' HIS . 9.0 ptpt -50.19 -32.66 16.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -38.81 119.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t 68.3 40.18 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.25 -172.24 20.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.63 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.3 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -113.75 97.39 6.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -105.9 -57.55 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.483 179.967 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -129.54 85.54 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -55.09 111.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.22 77.01 0.27 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -102.64 115.44 30.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -89.26 105.56 17.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.52 148.59 19.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.69 143.88 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.63 -35.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 41.3 tp60 -52.72 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.13 -47.18 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.86 -36.6 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.01 159.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -81.6 132.46 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 19' ' ' VAL . 13.3 mt -83.77 130.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.47 115.87 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.76 -71.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 6.9 ttt180 -118.31 119.84 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 15' ' ' ILE . 7.3 t -115.8 116.86 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -88.06 103.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -80.25 117.3 20.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.12 162.4 41.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmm 43.02 28.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 66.04 41.21 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 61.4 m-80 -162.77 161.53 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 24.0 p -89.74 146.69 24.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.9 m95 -149.8 171.32 16.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -88.19 157.99 50.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 7.9 pt-20 -123.86 -33.61 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.4 m -63.02 -61.54 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 18.2 t80 -49.35 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.1 mtt85 -122.31 165.19 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 15.1 t -58.55 164.26 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.62 9.25 33.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.81 -35.1 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -124.32 -7.95 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 59.24 54.99 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -108.7 128.05 54.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.2 t -41.91 115.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 3.4 mt -104.47 34.97 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.72 -54.47 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.7 -52.43 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.4 pt -58.63 -20.67 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.68 160.83 14.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -111.63 167.84 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.558 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 56.7 t -132.85 106.43 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -48.63 135.74 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -169.19 119.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.65 33.88 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.38 27.31 71.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -136.32 146.52 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.17 111.22 22.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.52 172.12 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.1 p -101.56 149.54 24.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.4 mmm-85 -35.92 -52.57 1.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.7 Cg_exo -47.94 -59.86 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 77.3 m -63.75 -69.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.559 ' CD2' ' HD2' ' A' ' 63' ' ' LYS . 86.1 t60 -35.25 -42.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 68.9 m-20 -64.1 -44.86 91.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 37.3 mtt-85 -59.88 -45.52 92.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.18 -62.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.559 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 11.6 ptmm? -54.0 -39.21 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 60' ' ' ASN . . . -48.69 -59.78 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.9 t -48.31 108.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.78 165.73 11.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -14.56 36.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.636 2.224 . . . . 0.0 112.399 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 m -138.39 139.81 39.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -166.84 114.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.459 ' N ' ' HZ3' ' A' ' 63' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 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 1.452 -0.282 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -139.63 154.92 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -167.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -110.4 134.43 52.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -115.64 99.23 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.96 147.27 17.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.04 144.7 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -92.59 -34.83 13.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 17.7 tp60 -53.95 -68.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -91.1 -47.74 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.55 -37.11 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -43.65 156.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.56 132.94 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 19' ' ' VAL . 14.4 mt -82.91 132.95 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -133.89 118.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.34 -74.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -116.93 117.8 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 15' ' ' ILE . 11.4 t -111.08 119.64 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -90.9 101.36 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -78.54 115.6 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.81 163.22 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp 42.09 30.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 64.96 41.65 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.1 m-80 -163.91 161.49 22.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.1 p -90.44 144.25 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -147.46 171.48 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -87.49 157.0 53.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.54 8.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 8.8 pt-20 -122.05 -34.2 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.4 m -63.19 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 7.3 t80 -52.23 92.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.8 mtt85 -122.9 166.22 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.432 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.8 t -60.93 166.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.04 0.67 25.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -123.17 -32.88 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -125.66 -4.71 7.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.432 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 26.7 mm-40 52.54 54.12 11.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 6.5 tt0 -104.51 129.54 52.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.5 t -43.82 112.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.7 mt -100.85 40.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.74 -55.9 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.6 -51.58 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 45' ' ' GLY . 46.3 pt -57.76 -32.41 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 102.37 176.32 27.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.418 ' C ' HG23 ' A' ' 47' ' ' VAL . 8.8 p90 -139.2 166.88 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.51 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 61.0 t -138.14 106.2 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -54.3 135.61 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -164.99 126.94 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.48 34.93 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.23 32.78 76.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -139.64 145.93 39.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -89.17 116.57 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -123.5 157.04 34.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.44 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 25.0 p -94.24 149.75 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.7 mtt180 -36.24 -52.29 1.71 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -47.97 -62.75 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.4 m -60.99 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.555 ' CD2' ' HD2' ' A' ' 63' ' ' LYS . 80.0 t60 -36.03 -40.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 59.6 m-20 -68.79 -43.28 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 67.1 mtt-85 -59.51 -42.8 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.99 -65.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 13.1 ptmt -50.83 -37.03 40.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -35.62 120.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -81.56 141.35 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.22 -179.23 25.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 2.44 3.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 t -128.04 121.49 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 p -48.5 150.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.496 -179.979 . . . . . . . . 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 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -66.68 127.61 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -73.46 82.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.8 -108.87 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 52.07 40.09 27.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -107.11 99.78 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.01 154.85 16.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -65.96 143.93 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -91.87 -38.9 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -46.22 -68.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.23 -44.04 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.34 -37.35 2.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.51 150.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.79 139.92 47.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mt -89.21 130.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.53 118.47 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.47 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -117.22 119.77 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.2 t -112.6 117.94 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -89.81 104.01 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -79.91 115.77 19.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.57 163.73 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 mtp 41.3 31.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.21 43.05 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.5 m-80 -166.13 161.67 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.669 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.5 p -89.4 146.31 24.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.669 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -149.09 174.18 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -90.47 156.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.4 Cg_endo -69.75 -2.07 9.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.54 -23.93 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 23.6 m -73.67 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.36 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' CYS . 62.5 mtm180 -116.97 174.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 10.2 t -63.19 168.68 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.24 -4.31 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -118.39 -34.47 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.7 p -124.24 -1.85 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.481 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 14.4 mm-40 48.68 55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 18.0 tt0 -103.53 119.9 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 21.1 t -39.64 110.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 1.2 mt -101.94 38.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.49 -54.6 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.04 -57.28 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.6 pt -47.37 -29.17 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.19 166.3 30.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -133.45 164.05 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.86 100.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.02 134.31 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -163.58 130.64 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.36 37.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 33.54 86.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.85 147.68 39.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.01 117.74 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.89 158.01 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.47 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -97.7 149.3 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mtm180 -36.75 -52.04 1.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 63.7 Cg_exo -47.91 -62.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -61.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.427 ' NE2' ' HD2' ' A' ' 63' ' ' LYS . 84.5 t60 -38.4 -46.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 66.5 m-20 -61.33 -39.77 91.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' CYS . 55.1 mtp180 -63.12 -37.17 86.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.2 -67.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' HD2' ' NE2' ' A' ' 59' ' ' HIS . 7.5 ptmm? -48.68 -30.86 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.18 123.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -84.29 78.1 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.66 173.72 25.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.83 2.62 3.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' PRO . 40.4 t -37.97 -53.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -39.62 -46.56 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.519 -179.97 . . . . . . . . 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 -0.302 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -81.72 125.37 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.933 0.397 . . . . 0.0 110.833 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -78.56 -48.82 14.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.07 162.04 27.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -118.39 -51.97 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -126.74 88.57 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.12 148.06 18.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.63 142.5 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -91.51 -38.83 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.2 tp-100 -47.19 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.87 -42.24 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.66 -38.19 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.2 152.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.07 139.82 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -88.92 132.73 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.16 111.03 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.12 -74.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -116.52 121.97 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 t -116.71 120.38 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -92.11 104.99 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -79.88 115.55 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' CE1' ' A' ' 32' ' ' PHE . . . -152.56 166.2 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 38.98 32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 9.1 m120 62.97 44.88 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ALA . 63.5 m-20 -167.67 163.94 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.2 p -89.87 146.71 24.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.54 172.41 15.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -89.73 157.91 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -1.71 8.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.368 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -123.97 -24.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.3 m -74.78 -58.89 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 32.8 t80 -52.49 83.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 62.1 mtm180 -117.27 170.48 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.01 167.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.42 -1.64 24.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -120.16 -33.94 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 p -125.32 -2.03 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 10.5 mm-40 50.22 55.0 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -104.89 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -37.99 111.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -101.79 39.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.73 -51.45 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.11 -53.79 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 pt -60.74 -14.82 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 173.92 36.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -125.58 171.2 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.23 97.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 121.45 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -154.12 134.24 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.11 28.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.42 36.22 63.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -143.98 139.34 29.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -82.14 110.2 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.54 167.16 11.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.464 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.4 p -101.31 149.02 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.9 mmt180 -37.02 -51.88 2.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.0 Cg_exo -48.01 -65.45 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.9 m -58.0 -69.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' CYS . 39.9 t60 -35.66 -47.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 31.0 m-20 -55.19 -45.42 75.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' CYS . 51.1 mtp180 -56.41 -45.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.56 -64.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -48.17 -30.04 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -38.2 -58.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -99.26 136.63 38.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.28 153.73 21.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -134.83 123.2 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -45.38 102.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.482 179.995 . . . . . . . . 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 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -156.81 130.52 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -100.24 128.25 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.34 62.07 0.29 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -150.65 114.07 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -89.93 104.98 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.45 143.72 16.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.1 t -61.38 145.37 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -93.4 -39.63 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -46.5 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.56 -43.71 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.3 -39.0 2.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -44.27 151.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -74.39 138.27 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.479 ' CG2' HG22 ' A' ' 19' ' ' VAL . 17.4 mt -87.01 132.55 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.0 mt -131.21 116.0 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.39 -73.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.1 122.99 45.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG22 ' CG2' ' A' ' 15' ' ' ILE . 9.7 t -115.76 119.13 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.65 103.73 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -80.27 117.48 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.75 162.44 41.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.82 28.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.57 42.02 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.0 m-20 -163.36 162.04 24.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.665 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 27.1 p -90.19 145.04 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -148.55 176.45 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.451 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.6 m80 -93.25 157.68 38.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -1.42 8.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 15.5 pt-20 -122.91 -32.51 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.91 -60.02 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.487 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 8.7 t80 -52.41 93.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.1 mtt85 -124.16 167.8 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.2 t -62.59 167.32 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.96 -0.98 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -120.96 -32.86 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -126.12 -4.6 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.426 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 27.7 mm-40 52.54 54.87 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.1 tt0 -105.59 129.02 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 67.7 t -43.26 113.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.1 mt -101.7 41.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.18 -61.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.16 -49.41 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.7 pt -56.78 -32.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 101.79 174.62 28.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -139.1 163.95 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 HG11 ' CD2' ' A' ' 59' ' ' HIS . 46.2 t -134.68 101.39 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.93 137.96 20.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -168.55 130.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.8 36.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.5 34.08 88.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -140.81 147.0 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -90.73 117.75 29.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.03 157.24 34.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -94.67 147.46 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.5 mmm180 -35.31 -52.51 1.26 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.4 Cg_exo -48.02 -64.91 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 94.4 m -57.68 -67.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.463 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -36.6 -45.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 52.4 m-20 -59.53 -41.01 89.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 97.5 mtt180 -63.27 -35.68 81.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.91 -65.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 10.1 ptmm? -52.55 -32.13 39.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.91 105.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 t -76.17 -65.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.98 164.88 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.1 p -124.32 175.19 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 151.7 29.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.451 -179.975 . . . . . . . . 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 1.452 -0.268 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -99.49 125.62 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -85.91 133.92 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.48 -92.75 0.54 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -59.49 138.42 57.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.499 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 21.8 p -127.38 108.98 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 148.57 18.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.38 145.8 53.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -92.09 -38.24 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.478 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -49.3 -70.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -88.72 -46.86 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.87 -36.91 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -42.56 158.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 6' ' ' SER . 12.2 t80 -81.58 130.93 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.8 mt -82.42 131.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mt -131.96 117.22 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.75 -73.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -116.91 118.37 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 15' ' ' ILE . 13.1 t -113.73 119.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -89.46 102.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -79.01 115.71 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 46' ' ' PHE . . . -153.16 160.91 42.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.421 ' HE3' ' N ' ' A' ' 53' ' ' HIS . 9.9 mtp 44.18 26.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 69.03 39.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.1 m-80 -161.47 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.667 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.2 p -90.92 143.75 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -148.07 173.82 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 15' ' ' ILE . 27.7 m80 -89.93 157.17 46.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.2 8.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -123.46 -26.51 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 20.8 m -72.23 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -54.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 41.5 mtp180 -127.03 155.34 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 t -45.89 156.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -99.2 12.64 35.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.66 -36.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -121.98 -11.89 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.5 mm-40 62.24 53.71 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -105.8 127.05 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.9 t -42.03 120.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mt -112.58 39.33 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -93.17 -34.96 13.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -106.02 -47.63 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 45' ' ' GLY . 12.0 pt -69.14 -24.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.05 172.29 41.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 11.0 p90 -130.84 171.56 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 40.3 t -134.36 103.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -50.64 133.89 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -167.25 114.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.21 44.02 19.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.52 23.19 62.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -126.75 159.72 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.421 ' N ' ' HE3' ' A' ' 23' ' ' MET . 1.5 p-80 -111.13 106.74 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.62 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.433 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.9 p -105.52 149.52 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 9.6 mtt180 -38.0 -51.64 3.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.97 -58.23 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.6 m -66.01 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 78.9 t60 -39.8 -37.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 31.9 m-20 -68.26 -45.92 71.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 -58.43 -44.1 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.19 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ALA . 3.0 ptmm? -51.32 -36.39 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -35.34 -52.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -68.97 145.91 53.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.5 -172.09 39.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 178.59 4.44 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -58.48 109.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 p -127.11 106.98 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.483 179.998 . . . . . . . . 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 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t 58.4 42.25 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 p -99.32 111.66 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.28 132.55 3.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -74.06 -44.72 53.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -113.85 32.83 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.1 152.18 32.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.73 144.72 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -92.94 -39.32 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp-100 -46.3 -68.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.47 -43.89 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.88 -37.25 3.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.94 150.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -72.78 138.43 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 19' ' ' VAL . 18.9 mt -87.89 131.02 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 mt -130.03 117.31 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -116.73 123.3 46.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.356 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 15' ' ' ILE . 4.7 t -116.27 120.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -91.89 103.43 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -77.61 113.59 15.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.47 160.57 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.487 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 8.3 mmm 40.37 45.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.487 ' CG ' ' C ' ' A' ' 23' ' ' MET . 0.1 OUTLIER 50.47 45.32 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 58.3 m-80 -168.9 159.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.8 p -87.51 148.19 25.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.7 m95 -149.47 173.53 13.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' HG12 ' A' ' 15' ' ' ILE . 24.3 m80 -91.04 157.79 42.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -124.76 -26.71 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.8 m -71.3 -56.83 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.534 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.5 t80 -58.31 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 39.9 mtp180 -125.43 165.05 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 9.6 t -55.17 168.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.1 -5.18 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.11 -35.92 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.6 p -122.19 -5.08 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 25.3 mm-40 52.75 54.85 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.3 tt0 -104.88 131.18 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.7 t -42.04 117.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 4.2 mt -106.86 37.52 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.07 -57.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -87.33 -55.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 45' ' ' GLY . 36.8 pt -56.12 -30.18 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 88.46 171.53 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -123.72 172.62 8.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.48 HG12 ' CD2' ' A' ' 59' ' ' HIS . 48.7 t -136.3 106.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' HD3' ' SD ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -51.65 126.51 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 17.8 t-20 -156.33 125.92 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 45.22 36.37 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.77 69.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -139.61 142.3 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.69 109.93 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.02 168.76 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 56' ' ' ARG . 23.3 p -99.02 149.39 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.7 mmm-85 -35.2 -52.98 1.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -47.99 -65.62 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.4 m -58.09 -65.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.48 ' CD2' HG12 ' A' ' 47' ' ' VAL . 86.0 t60 -36.81 -45.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 20.8 m-20 -57.59 -41.92 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 82.1 mtt180 -66.12 -42.28 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.6 -57.73 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 6.5 ptpp? -58.43 -31.34 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -64.71 -53.67 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ALA . 4.5 m -36.52 -51.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.97 164.23 32.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 104.25 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -76.1 176.91 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.5 m -134.45 143.43 47.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.476 -179.992 . . . . . . . . 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 -0.35 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -43.81 128.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -139.74 136.94 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.32 52.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -140.35 110.27 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m -89.63 105.58 17.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.75 14.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.71 141.0 45.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -91.32 -38.08 12.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.92 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -86.36 -41.23 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.0 -36.06 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.431 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -46.67 152.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -76.79 138.21 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' CG2' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -87.4 129.74 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.6 mt -127.82 107.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.5 -72.74 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 3.1 ttt85 -117.4 119.21 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 15' ' ' ILE . 5.7 t -114.31 117.42 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 mm -88.47 106.71 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -82.52 116.29 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.85 167.44 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.6 mtp 39.07 32.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 5.4 m-80 62.57 44.71 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 59.9 m-20 -168.56 163.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.642 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 39.6 p -89.73 146.22 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.8 m95 -149.88 171.02 17.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -88.4 158.43 48.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 0.42 5.69 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -127.63 -27.14 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 52.1 m -71.0 -52.89 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 10.6 t80 -60.01 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.601 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 40.9 mtp180 -123.98 168.08 13.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.5 t -59.04 167.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -106.0 -1.11 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -119.99 -33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -125.55 -5.63 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 29.9 mm-40 54.15 54.05 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -103.55 130.43 50.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -43.84 114.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.35 43.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.25 -57.21 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.99 -36.75 18.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 pt -78.08 -23.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.65 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 12.1 p90 -124.76 169.5 11.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 48.6 t -134.33 100.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -48.09 122.16 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 44.5 t-20 -149.36 130.46 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 36.37 36.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -144.25 140.79 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -83.39 109.74 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.8 mt -118.06 170.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.44 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.4 p -102.95 148.06 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.3 mmm-85 -35.32 -52.69 1.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.97 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.373 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.4 m -57.74 -65.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.501 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 74.2 t60 -38.41 -37.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.8 m-20 -67.31 -40.8 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' CYS . 24.4 mtm180 -57.21 -43.79 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.09 -67.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.7 ptmm? -50.07 -35.94 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.79 -64.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -81.93 155.71 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' A' ' 68' ' ' SER . . . 169.35 -133.97 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.81 10.84 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 67' ' ' PRO . 37.2 m -31.02 130.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -118.58 167.47 11.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.218 -0.768 . . . . 0.0 112.448 179.976 . . . . . . . . 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 -0.3 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -60.52 153.22 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -123.81 84.61 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.81 163.43 22.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -144.28 131.73 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.86 125.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.88 151.7 19.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -66.7 145.05 55.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -92.18 -39.25 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 56.1 tp60 -45.69 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.84 -44.18 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.01 -35.03 3.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -47.93 151.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.62 138.76 46.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 19' ' ' VAL . 13.6 mt -87.25 130.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mt -129.99 114.84 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.63 -75.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -116.18 123.24 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 15' ' ' ILE . 8.0 t -114.58 120.8 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.51 106.95 18.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -83.01 115.45 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -154.21 163.09 40.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.8 mmm 40.97 32.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 38.2 m-80 62.37 44.18 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 65.8 m-80 -166.53 161.96 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.7 p -89.68 146.84 24.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.1 m95 -150.44 171.61 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -87.93 157.35 51.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 9.3 pt-20 -123.13 -31.11 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 m -66.87 -63.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.543 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.9 t80 -48.03 88.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' CYS . 31.0 mtt85 -120.23 166.43 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.9 t -60.64 158.13 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.41 11.98 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -130.43 -34.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.36 -10.28 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 62.26 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -108.4 131.63 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 66.5 t -46.48 114.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.543 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -102.88 41.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.7 -50.84 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.01 -48.03 7.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 pt -67.97 -35.61 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.83 161.97 33.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -114.17 172.19 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.5 t -135.19 109.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.86 116.29 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.436 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 45.9 t-20 -149.94 127.51 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.28 36.0 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.57 30.31 76.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.32 141.67 41.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -85.95 107.97 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.6 mt -115.53 168.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 p -101.92 149.64 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.0 mtp180 -35.97 -52.53 1.57 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -48.03 -65.14 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.8 m -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' CYS . 43.2 t60 -38.16 -47.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 27.5 m-20 -55.29 -41.98 73.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' CYS . 93.8 mtt180 -60.49 -43.5 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.53 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.06 -36.27 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -35.56 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -103.37 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.75 155.36 15.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 0.48 5.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.8 t -68.89 103.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.2 m 55.8 47.63 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -86.79 101.39 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.814 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -123.45 112.8 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.49 143.57 11.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -104.98 -179.88 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 63.2 m -115.56 97.18 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.31 155.37 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.14 143.11 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.503 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 26.0 t60 -92.46 -36.24 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp60 -52.23 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -84.81 -43.4 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.23 -33.96 4.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.18 149.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 6' ' ' SER . 31.5 t80 -70.52 133.33 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 27' ' ' TRP . 12.7 mt -85.88 130.07 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.92 119.61 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.96 -71.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -118.33 109.09 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.409 ' CG1' ' OG ' ' A' ' 26' ' ' SER . 3.3 t -106.29 126.46 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -99.44 112.6 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -86.5 120.41 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -160.25 162.66 33.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 mmm 41.89 28.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 66.65 42.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 57.5 m-80 -165.52 159.54 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.666 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 42.2 t -89.66 146.21 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -148.65 173.86 12.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.41 156.79 53.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -0.2 6.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.3 pt-20 -124.38 -32.59 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.6 m -63.97 -62.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 10.3 t80 -50.72 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 34.7 mtt85 -121.76 163.14 19.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.57 156.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.7 12.39 35.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.5 mt -131.77 -35.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.01 -9.58 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 60.89 55.03 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -108.2 127.08 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.4 t -41.39 116.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 3.0 mt -105.01 38.95 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -90.54 -48.15 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -93.66 -46.77 7.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 45' ' ' GLY . 49.0 pt -68.87 -34.05 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 96.12 173.37 35.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' C ' HG21 ' A' ' 47' ' ' VAL . 13.1 p90 -123.41 174.65 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG11 ' CG ' ' A' ' 59' ' ' HIS . 59.0 t -138.33 105.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.34 122.7 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -160.08 128.11 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.0 36.66 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.02 73.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -138.57 142.81 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 112.11 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' VAL . 1.1 mt -116.43 165.55 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.4 p -96.55 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -36.28 -52.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.9 Cg_exo -47.94 -65.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -57.51 -69.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 47' ' ' VAL . 47.6 t60 -34.06 -47.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 24.7 m-20 -56.35 -44.96 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' CYS . 98.1 mtt180 -56.02 -43.46 77.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.75 -63.14 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.83 -34.31 39.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -35.96 128.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m 51.76 42.46 29.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.53 176.77 54.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 t -121.3 104.0 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.1 m -77.75 83.27 4.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.544 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -108.28 110.99 22.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -82.98 43.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.69 -148.26 17.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -120.25 -51.2 2.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.585 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 23.5 m -106.21 113.5 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.25 146.66 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.21 142.97 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.356 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -91.04 -36.06 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -51.33 -72.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.65 -47.11 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.18 -36.26 2.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.58 160.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE1' ' O ' ' A' ' 6' ' ' SER . 9.8 t80 -83.78 133.09 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 ' CG2' HG22 ' A' ' 19' ' ' VAL . 12.5 mt -84.39 132.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.02 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.94 -73.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -115.48 115.47 26.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 15' ' ' ILE . 6.1 t -112.57 117.98 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.19 104.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -80.3 116.21 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -155.37 164.5 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 mmm 42.19 32.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 62.16 41.8 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 55.8 m-80 -166.15 163.04 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 18.7 p -88.33 147.97 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.59 171.17 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -88.79 157.74 48.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.49 8.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.0 pt-20 -124.19 -26.52 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.5 m -71.12 -61.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 14.2 t80 -51.15 97.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.9 mtt85 -129.85 169.77 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 t -65.26 157.42 29.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -100.02 12.31 37.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -131.03 -35.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.4 -9.14 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 60.06 54.97 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -106.68 128.73 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.7 t -44.76 113.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.49 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 3.5 mt -103.39 39.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.31 -57.91 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.56 -49.6 6.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 45' ' ' GLY . 19.4 pt -59.73 -27.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 91.0 168.06 41.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.447 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 22.1 p90 -126.14 170.72 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.568 HG13 ' CD2' ' A' ' 59' ' ' HIS . 21.9 t -135.19 105.77 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -49.02 140.16 9.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 22.8 t-20 -170.28 113.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.17 40.9 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.08 28.51 73.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -132.99 146.17 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -93.77 109.98 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 2.3 mt -117.04 164.72 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.434 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.7 p -101.47 149.82 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 21.9 mtt-85 -37.64 -51.76 2.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.97 -58.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -66.88 -66.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.568 ' CD2' HG13 ' A' ' 47' ' ' VAL . 78.1 t60 -37.44 -34.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.6 m-20 -70.71 -43.09 69.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.0 ptm180 -61.03 -34.78 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.39 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 13.5 ptpt -51.34 -31.11 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -44.61 111.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 t -110.37 -64.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.49 -142.67 16.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 111.77 2.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.7 p -49.53 -48.83 48.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.1 t -55.1 -52.88 61.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.435 179.979 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -95.7 101.42 13.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -120.46 108.85 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.89 63.46 4.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -125.13 111.52 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -85.42 32.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.04 153.09 39.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.06 144.7 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -91.01 -39.84 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.4 tp-100 -47.11 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.59 -46.72 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.01 2.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -43.79 160.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -82.55 133.81 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -84.28 131.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.4 mt -132.43 116.22 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.9 -73.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -115.4 116.38 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG21 ' CG2' ' A' ' 15' ' ' ILE . 6.7 t -110.68 115.24 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -88.48 101.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -78.03 119.51 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.07 161.84 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.61 29.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 44.1 m-20 65.84 42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 68.1 m-80 -164.07 160.58 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.643 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 20.7 p -89.61 144.57 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -147.74 176.75 9.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.4 m80 -94.33 157.21 37.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.9 Cg_endo -69.77 -1.61 8.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.29 -20.67 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.4 m -78.58 -57.43 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -54.82 81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 31' ' ' CYS . 49.7 mtm180 -117.06 169.99 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.4 t -58.53 167.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -105.03 0.12 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 mt -121.72 -37.55 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -120.43 -5.08 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 0.9 OUTLIER 54.08 54.59 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -103.81 120.12 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 13.2 t -42.16 111.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.02 38.49 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -51.22 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -102.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.9 pt -47.22 -20.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 158.36 31.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -120.59 171.43 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.8 t -133.29 99.19 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -54.44 122.96 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -157.26 132.86 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.13 35.2 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.32 31.25 79.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -139.05 144.79 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -88.56 113.95 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mt -121.61 163.16 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.0 p -100.22 149.43 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.4 mtt85 -36.88 -52.09 2.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.6 Cg_exo -47.93 -63.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -61.11 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -40.61 -46.46 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -63.57 -39.61 94.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -62.88 -45.41 92.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.0 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' ALA . 17.0 ptpt -48.38 -33.73 9.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -37.39 120.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -157.7 110.08 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.27 136.12 7.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -26.22 28.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -148.24 137.91 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -79.36 112.64 16.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.505 -179.959 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -154.25 147.92 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.393 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 t -87.62 109.92 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.26 45.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -120.64 160.94 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 71.2 m -104.38 100.93 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.29 142.79 14.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.1 145.17 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -94.91 -38.52 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 38.6 tp60 -48.15 -68.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -90.4 -44.31 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.77 -38.35 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -43.97 150.52 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 6' ' ' SER . 39.2 t80 -73.74 139.09 45.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 19' ' ' VAL . 8.4 mt -88.75 127.94 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.65 109.12 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.02 -74.82 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -117.06 119.8 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG23 ' CG2' ' A' ' 15' ' ' ILE . 6.0 t -114.43 120.59 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -91.59 98.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -77.07 115.47 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.95 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.432 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 6.4 mmm 49.33 29.3 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 21.7 m-20 65.86 32.03 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 1.1 m120 -151.8 158.13 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.645 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 44.7 p -88.3 145.85 25.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -150.93 168.12 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.08 157.46 51.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.3 Cg_endo -69.75 -2.24 9.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.02 -22.16 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' ARG . 34.6 m -76.92 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -54.77 81.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' CYS . 72.6 mtm180 -115.09 175.34 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.9 t -63.08 167.95 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -105.95 0.58 25.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -122.16 -34.19 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -125.0 -5.22 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 16.9 mm-40 54.74 53.91 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 20.1 tt0 -103.64 118.98 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 14.6 t -39.02 110.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.65 39.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.45 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.12 -56.02 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.5 pt -53.54 -32.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.51 168.51 38.53 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -119.2 169.04 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.543 ' CG1' ' CD2' ' A' ' 59' ' ' HIS . 58.9 t -132.58 101.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -47.68 126.43 10.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -158.7 119.65 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.71 34.63 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.73 71.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -136.46 142.32 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 109.9 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -119.4 164.26 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.439 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.1 p -99.34 148.56 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.0 mtt85 -35.08 -52.9 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.823 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.5 Cg_exo -47.91 -59.03 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.3 m -67.06 -62.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.543 ' CD2' ' CG1' ' A' ' 47' ' ' VAL . 78.7 t60 -41.62 -28.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -84.16 -33.97 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.5 ptm180 -73.75 -41.97 61.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 2.6 pp20? -65.66 -54.82 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 15.8 ptpt -60.59 -35.46 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -43.6 119.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m 62.54 50.48 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.3 -152.52 6.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.542 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.7 Cg_endo -69.77 2.92 3.1 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 67' ' ' PRO . 14.6 m -34.25 -59.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -58.81 136.8 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.474 179.984 . . . . . . . . 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 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -121.79 101.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -103.56 -45.44 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.71 152.44 9.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.7 -55.89 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -134.39 176.22 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 136.75 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 t -57.52 140.83 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -90.98 -37.86 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 53.6 tp60 -48.62 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -85.93 -39.89 16.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.6 -34.99 4.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -47.98 151.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -75.6 135.22 40.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' CG2' HG22 ' A' ' 19' ' ' VAL . 10.0 mt -85.66 135.57 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.4 mt -136.08 113.58 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.05 -69.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -119.49 114.0 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' CG2' ' A' ' 15' ' ' ILE . 8.6 t -111.11 124.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mm -95.24 105.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -82.54 116.16 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.569 ' CB ' ' CZ ' ' A' ' 32' ' ' PHE . . . -155.91 167.85 29.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.481 ' HE1' ' N ' ' A' ' 53' ' ' HIS . 13.2 mtp 40.02 27.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' ALA . 22.1 m-20 67.12 44.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -167.51 164.56 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 57.4 p -90.77 144.43 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -149.4 175.03 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.6 m80 -92.32 158.09 39.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.84 -27.27 3.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 39.9 m -72.09 -53.11 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.569 ' CZ ' ' CB ' ' A' ' 22' ' ' ALA . 9.3 t80 -60.31 92.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.7 mtp180 -122.8 168.63 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.3 t -60.47 167.85 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 14.7 t70 -106.0 -3.18 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 32.2 mt -117.71 -34.58 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -124.54 -5.2 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.9 mm-40 53.29 54.18 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -104.22 130.97 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.9 t -45.2 114.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.94 37.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.4 -61.35 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.28 -48.45 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.64 -31.44 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.3 162.4 36.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -119.08 171.25 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.8 t -135.33 114.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -58.18 123.85 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.416 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.3 t30 -153.39 128.72 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.97 39.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.27 35.62 92.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -142.85 141.78 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -85.1 111.54 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 6.1 mt -119.81 169.38 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 56' ' ' ARG . 21.1 p -103.24 148.37 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt-85 -35.06 -53.02 1.14 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.2 Cg_exo -47.98 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.14 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.527 ' CD2' ' HD2' ' A' ' 63' ' ' LYS . 83.6 t60 -39.67 -44.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -58.38 -43.93 88.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -61.5 -38.21 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.99 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.527 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 12.1 ptmm? -57.8 -29.62 65.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.79 43.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.0 p -73.55 160.37 31.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.0 -174.92 19.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.47 42.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.0 p -65.99 154.03 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.3 t -74.89 -52.19 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.444 -179.965 . . . . . . . . 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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.37 143.67 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -91.95 -37.8 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 51.3 tp60 -48.85 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -87.05 -43.0 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.92 -37.45 3.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -45.57 152.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -75.45 138.38 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 19' ' ' VAL . 10.6 mt -85.95 129.33 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -127.77 112.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.8 -73.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.439 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 2.6 ttt85 -115.68 121.25 41.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.446 ' HA ' HG21 ' A' ' 15' ' ' ILE . 3.9 t -114.55 114.82 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.456 HD12 ' HB1' ' A' ' 42' ' ' ALA . 15.9 mm -87.33 105.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -81.61 119.32 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.61 162.5 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp 41.69 31.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 36.1 m120 63.61 42.87 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 76.8 m-20 -165.45 160.75 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.631 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.4 p -89.65 144.59 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -147.48 173.06 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -89.96 157.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -2.0 9.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.72 -22.37 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.7 m -76.07 -56.94 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 t80 -58.8 86.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 48.0 mtp180 -119.7 166.15 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.6 t -58.07 164.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -103.63 1.44 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.1 -33.39 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.95 -5.6 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.5 mm-40 53.51 50.61 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 13.3 tt0 -100.44 129.81 46.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.6 t -47.57 114.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 48.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 20' ' ' ILE . . . -96.11 -52.07 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -47.14 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 pt -62.46 -26.37 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.18 169.48 34.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -133.64 169.94 16.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 59' ' ' HIS . 37.2 t -134.54 111.91 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -66.95 120.65 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -152.15 131.71 13.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.9 31.65 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.31 29.71 73.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -135.49 143.21 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 113.2 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.76 166.43 16.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.446 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.4 p -100.76 148.33 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.4 mmm180 -34.87 -53.02 1.08 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.98 -65.09 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.0 m -60.28 -66.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.81 ' CD2' HG11 ' A' ' 47' ' ' VAL . 6.1 t60 -36.47 -46.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.28 -40.7 95.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' CYS . 70.4 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.41 140.88 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -90.47 -38.38 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.21 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.83 -42.04 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 -37.94 3.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.52 152.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.85 138.94 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.2 mt -87.41 130.36 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 mt -129.12 109.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.05 -73.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -117.04 119.05 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.0 t -113.18 118.44 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -91.38 109.07 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -83.68 118.38 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.96 166.68 32.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp 39.9 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 52.8 t-20 68.2 44.7 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 67.8 m-20 -168.57 165.73 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 35.4 p -90.09 145.05 25.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.47 172.74 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -90.22 157.9 44.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.6 7.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -125.02 -26.8 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 37.2 m -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 28.4 t80 -60.72 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 38.9 mtp180 -123.99 171.08 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.1 t -63.3 168.05 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.6 t70 -105.48 -3.77 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -118.12 -34.12 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -124.87 -4.18 7.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.9 mm-40 51.47 53.21 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 17.8 tt0 -102.24 128.56 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.29 112.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.1 mt -103.03 47.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.64 -52.76 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -92.19 -39.7 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 41' ' ' LEU . 19.2 pt -73.24 -26.95 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.1 166.45 39.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 23.9 p90 -127.28 171.6 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.697 HG11 ' ND1' ' A' ' 59' ' ' HIS . 40.1 t -137.12 105.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.26 115.39 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -144.78 135.3 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.02 34.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.49 34.3 84.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -142.24 143.21 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.593 ' H ' ' CD2' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -85.73 108.91 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 6.3 mt -118.03 169.34 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.3 p -102.69 148.7 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 15.3 mtm180 -36.74 -52.01 1.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -48.02 -60.75 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.6 m -63.83 -67.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.697 ' ND1' HG11 ' A' ' 47' ' ' VAL . 32.6 t-80 -38.56 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-20 -78.42 -41.77 32.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.3 ptm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 t -63.98 143.72 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -91.04 -38.52 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 31.6 tp60 -46.73 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.31 -44.02 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.93 -37.44 3.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.35 150.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -70.95 138.81 50.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -88.03 132.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -131.29 115.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.54 -76.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -114.73 122.93 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -117.41 118.59 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.48 105.11 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -80.97 116.96 21.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.02 164.12 39.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.043 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.4 mmm 40.69 32.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 51.7 m-80 62.28 43.85 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -165.91 160.96 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.0 p -89.28 147.8 23.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.3 m95 -150.37 171.02 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -87.5 157.7 52.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.27 8.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 18.1 pt-20 -124.06 -31.24 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.1 m -65.31 -60.92 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 16.9 t80 -51.33 97.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 33.9 mtt85 -125.66 165.62 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 41' ' ' LEU . 21.2 t -60.72 159.01 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -101.8 13.44 34.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -131.28 -36.16 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -123.98 -11.52 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 64.45 54.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.56 132.53 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 42' ' ' ALA . 65.0 t -47.36 115.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 34' ' ' CYS . 2.8 mt -104.17 34.04 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.42 -54.1 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -87.85 -55.43 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 8.3 pt -61.56 -17.46 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.92 177.16 44.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -124.45 170.85 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG11 ' ND1' ' A' ' 59' ' ' HIS . 39.2 t -133.4 99.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.91 135.49 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -167.71 125.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.42 39.81 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.94 30.6 77.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -139.52 145.1 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.25 110.69 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -113.94 171.77 7.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.1 p -102.96 149.74 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 0.3 OUTLIER -35.59 -52.89 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -48.02 -61.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -61.66 -66.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.608 ' ND1' HG11 ' A' ' 47' ' ' VAL . 46.3 t-80 -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -61.18 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' CYS . 77.9 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -62.78 142.61 58.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -90.12 -39.38 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 tp60 -46.46 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.61 -41.92 14.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.15 -37.43 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -45.68 153.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.95 136.91 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HB ' HG22 ' A' ' 19' ' ' VAL . 11.8 mt -85.53 133.41 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.1 mt -132.3 115.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.81 -72.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -117.57 121.25 40.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.6 t -116.98 118.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.2 104.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -80.95 116.98 21.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.54 167.65 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.4 mtp 39.98 29.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 80.1 m-20 64.71 44.27 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 17.8 m120 -168.67 162.86 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.646 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.0 p -89.76 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -148.59 171.8 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -88.66 158.12 48.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.22 6.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -125.92 -25.88 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 26.4 m -73.08 -54.83 7.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 5.7 t80 -59.01 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.599 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.8 mtp180 -124.49 165.47 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -56.27 167.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -106.21 -1.71 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 18.4 mt -118.4 -34.19 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.99 -6.22 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 28.9 mm-40 54.62 54.94 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 24.3 tt0 -105.2 131.14 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 42' ' ' ALA . 80.3 t -43.62 114.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -102.57 35.2 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -88.31 -59.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -80.67 -47.63 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 pt -71.3 -25.42 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.18 170.69 47.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -125.1 171.87 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.9 t -132.5 112.46 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.76 124.54 19.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -157.58 131.98 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 43.91 33.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 34.89 88.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.71 140.75 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -84.84 110.5 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.33 172.64 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.6 p -105.18 148.07 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.3 mtp180 -35.75 -52.69 1.47 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.0 Cg_exo -47.93 -65.93 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.0 m -57.16 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.83 ' CD2' HG11 ' A' ' 47' ' ' VAL . 46.5 t60 -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -54.02 -41.61 68.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' CYS . 62.8 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -60.64 143.14 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -92.09 -36.52 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 20.6 tp60 -49.9 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.82 -46.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.44 -35.14 3.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.6 151.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -73.14 139.84 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 19' ' ' VAL . 9.4 mt -88.33 130.27 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.14 116.06 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.85 -74.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -116.65 120.58 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.8 t -113.36 118.85 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -90.94 102.57 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -79.05 116.26 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.68 167.24 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.3 mtp 38.78 32.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.6 m120 62.12 45.11 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 50.6 m-20 -168.57 162.82 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.9 p -89.4 146.28 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.11 172.56 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -89.68 157.9 45.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.551 0.691 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -0.83 7.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.6 pt-20 -124.21 -29.21 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.2 m -68.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 13.1 t80 -47.68 90.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 33.5 mtt85 -121.36 165.88 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -61.12 156.58 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.52 12.31 36.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.22 -35.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -123.75 -8.64 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 58.92 54.95 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -108.24 129.28 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 42' ' ' ALA . 61.5 t -45.49 111.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -99.62 38.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.97 -55.5 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.43 -52.99 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.9 pt -59.09 -25.84 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.01 157.19 28.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.413 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 4.9 p90 -118.33 175.7 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.776 HG11 ' CD2' ' A' ' 59' ' ' HIS . 43.1 t -135.34 120.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.19 112.82 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -144.74 135.65 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.56 35.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.1 36.76 93.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -142.99 140.65 31.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -84.91 110.39 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 mt -120.72 175.57 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.7 p -107.11 147.77 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 17.4 mtm180 -36.06 -52.33 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.98 -59.5 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.5 m -66.83 -68.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 47' ' ' VAL . 28.8 t60 -36.18 -34.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.5 m-20 -69.25 -45.18 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 58' ' ' CYS . 12.3 ptt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -66.92 143.41 56.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -91.62 -38.14 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.85 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -87.77 -44.18 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.55 -34.28 4.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.28 152.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -73.5 141.04 46.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 19' ' ' VAL . 12.7 mt -89.19 128.52 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -127.47 113.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.1 -74.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -116.03 122.38 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 15' ' ' ILE . 4.3 t -114.53 116.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.53 109.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.56 118.48 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -156.03 162.3 40.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.4 mtp 42.99 27.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.92 41.2 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 75.7 m-20 -163.12 161.07 24.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 97.6 p -90.02 144.96 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -148.02 172.26 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.71 157.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.18 8.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 4.7 pt-20 -123.89 -28.79 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.5 m -68.07 -62.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -49.76 91.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtt85 -120.08 167.65 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.8 t -63.77 158.29 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.05 11.57 39.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -131.3 -34.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.83 -9.26 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 59.22 54.83 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -108.55 129.89 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.2 t -46.89 113.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 44' ' ' ILE . 3.1 mt -103.51 45.27 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.91 -50.16 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.25 -50.21 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 41' ' ' LEU . 45.0 pt -58.27 -28.89 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.34 171.36 30.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -135.56 167.75 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.776 HG11 ' ND1' ' A' ' 59' ' ' HIS . 42.0 t -134.53 107.22 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -61.18 118.81 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -148.41 132.1 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 47.56 32.56 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.32 30.21 71.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -136.09 148.62 48.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.38 112.55 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 mt -121.47 166.84 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -101.21 149.34 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.1 mtt180 -37.46 -51.7 2.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.96 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.9 m -60.2 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.776 ' ND1' HG11 ' A' ' 47' ' ' VAL . 31.4 t-80 -40.95 -42.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -63.06 -40.14 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' CYS . 38.0 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.69 143.88 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.63 -35.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 41.3 tp60 -52.72 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.13 -47.18 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.86 -36.6 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.01 159.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -81.6 132.46 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' HB ' HG22 ' A' ' 19' ' ' VAL . 13.3 mt -83.77 130.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.47 115.87 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.76 -71.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 6.9 ttt180 -118.31 119.84 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.3 t -115.8 116.86 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -88.06 103.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -80.25 117.3 20.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.12 162.4 41.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmm 43.02 28.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 66.04 41.21 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 61.4 m-80 -162.77 161.53 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 24.0 p -89.74 146.69 24.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.9 m95 -149.8 171.32 16.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -88.19 157.99 50.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 7.9 pt-20 -123.86 -33.61 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.4 m -63.02 -61.54 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 18.2 t80 -49.35 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.1 mtt85 -122.31 165.19 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 41' ' ' LEU . 15.1 t -58.55 164.26 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.62 9.25 33.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.81 -35.1 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -124.32 -7.95 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 59.24 54.99 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.2 tt0 -108.7 128.05 54.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 42' ' ' ALA . 68.2 t -41.91 115.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.638 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.4 mt -104.47 34.97 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.72 -54.47 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.7 -52.43 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.613 HD11 HD23 ' A' ' 41' ' ' LEU . 11.4 pt -58.63 -20.67 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.68 160.83 14.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -111.63 167.84 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.832 HG11 ' ND1' ' A' ' 59' ' ' HIS . 56.7 t -132.85 106.43 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -48.63 135.74 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -169.19 119.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.65 33.88 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.38 27.31 71.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -136.32 146.52 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -94.17 111.22 22.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.52 172.12 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.1 p -101.56 149.54 24.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 4.4 mmm-85 -35.92 -52.57 1.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.7 Cg_exo -47.94 -59.86 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 77.3 m -63.75 -69.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.832 ' ND1' HG11 ' A' ' 47' ' ' VAL . 39.2 t-80 -35.25 -42.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -64.1 -44.86 91.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 37.3 mtt-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.04 144.7 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -92.59 -34.83 13.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 17.7 tp60 -53.95 -68.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -91.1 -47.74 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.55 -37.11 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -43.65 156.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.56 132.94 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -82.91 132.95 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -133.89 118.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.34 -74.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -116.93 117.8 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 t -111.08 119.64 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -90.9 101.36 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -78.54 115.6 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.81 163.22 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp 42.09 30.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 64.96 41.65 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.1 m-80 -163.91 161.49 22.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.1 p -90.44 144.25 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -147.46 171.48 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -87.49 157.0 53.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.54 8.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 8.8 pt-20 -122.05 -34.2 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.4 m -63.19 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.472 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 7.3 t80 -52.23 92.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.8 mtt85 -122.9 166.22 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.8 t -60.93 166.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.04 0.67 25.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -123.17 -32.88 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -125.66 -4.71 7.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 26.7 mm-40 52.54 54.12 11.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 6.5 tt0 -104.51 129.54 52.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.444 HG12 ' H ' ' A' ' 42' ' ' ALA . 75.5 t -43.82 112.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.7 mt -100.85 40.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.74 -55.9 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.6 -51.58 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 45' ' ' GLY . 46.3 pt -57.76 -32.41 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 102.37 176.32 27.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -139.2 166.88 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.81 HG11 ' ND1' ' A' ' 59' ' ' HIS . 61.0 t -138.14 106.2 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -54.3 135.61 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -164.99 126.94 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.48 34.93 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.23 32.78 76.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -139.64 145.93 39.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -89.17 116.57 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -123.5 157.04 34.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 25.0 p -94.24 149.75 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mtt180 -36.24 -52.29 1.71 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -47.97 -62.75 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.4 m -60.99 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.81 ' ND1' HG11 ' A' ' 47' ' ' VAL . 27.0 t-80 -36.03 -40.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -68.79 -43.28 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 67.1 mtt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -65.96 143.93 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -91.87 -38.9 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -46.22 -68.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.23 -44.04 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.34 -37.35 2.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.51 150.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.79 139.92 47.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HB ' HG22 ' A' ' 19' ' ' VAL . 6.3 mt -89.21 130.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.53 118.47 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.47 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -117.22 119.77 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.2 t -112.6 117.94 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -89.81 104.01 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -79.91 115.77 19.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.57 163.73 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 mtp 41.3 31.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.21 43.05 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.5 m-80 -166.13 161.67 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.669 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.5 p -89.4 146.31 24.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.669 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -149.09 174.18 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' A' ' 15' ' ' ILE . 25.6 m80 -90.47 156.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.4 Cg_endo -69.75 -2.07 9.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.54 -23.93 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 23.6 m -73.67 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.36 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' CYS . 62.5 mtm180 -116.97 174.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 41' ' ' LEU . 10.2 t -63.19 168.68 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.24 -4.31 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -118.39 -34.47 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.7 p -124.24 -1.85 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 14.4 mm-40 48.68 55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' N ' ' H ' ' A' ' 34' ' ' CYS . 18.0 tt0 -103.53 119.9 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 40' ' ' VAL . 21.1 t -39.64 110.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 34' ' ' CYS . 1.2 mt -101.94 38.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.49 -54.6 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.04 -57.28 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 41' ' ' LEU . 31.6 pt -47.37 -29.17 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.19 166.3 30.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -133.45 164.05 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG11 ' ND1' ' A' ' 59' ' ' HIS . 46.9 t -129.86 100.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.02 134.31 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -163.58 130.64 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.36 37.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 33.54 86.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.85 147.68 39.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.01 117.74 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.89 158.01 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -97.7 149.3 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mtm180 -36.75 -52.04 1.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 63.7 Cg_exo -47.91 -62.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -61.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.447 ' ND1' HG11 ' A' ' 47' ' ' VAL . 36.8 t-80 -38.4 -46.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -61.33 -39.77 91.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' CYS . 55.1 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.63 142.5 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -91.51 -38.83 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.2 tp-100 -47.19 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.87 -42.24 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.66 -38.19 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.2 152.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.07 139.82 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -88.92 132.73 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.16 111.03 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.12 -74.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -116.52 121.97 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 t -116.71 120.38 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -92.11 104.99 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -79.88 115.55 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -152.56 166.2 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 38.98 32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 9.1 m120 62.97 44.88 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ALA . 63.5 m-20 -167.67 163.94 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.2 p -89.87 146.71 24.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.54 172.41 15.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -89.73 157.91 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -1.71 8.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.368 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -123.97 -24.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.3 m -74.78 -58.89 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 32.8 t80 -52.49 83.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 62.1 mtm180 -117.27 170.48 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.7 t -59.01 167.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.42 -1.64 24.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -120.16 -33.94 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 p -125.32 -2.03 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 10.5 mm-40 50.22 55.0 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 28.1 tt0 -104.89 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 40' ' ' VAL . 20.3 t -37.99 111.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -101.79 39.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.73 -51.45 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.11 -53.79 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 pt -60.74 -14.82 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 173.92 36.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -125.58 171.2 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.909 HG11 ' CD2' ' A' ' 59' ' ' HIS . 59.6 t -131.23 97.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 121.45 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -154.12 134.24 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.11 28.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.42 36.22 63.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -143.98 139.34 29.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -82.14 110.2 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.54 167.16 11.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.4 p -101.31 149.02 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.9 mmt180 -37.02 -51.88 2.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.0 Cg_exo -48.01 -65.45 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.9 m -58.0 -69.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.909 ' CD2' HG11 ' A' ' 47' ' ' VAL . 39.9 t60 -35.66 -47.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -55.19 -45.42 75.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' CYS . 51.1 mtp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.1 t -61.38 145.37 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -93.4 -39.63 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -46.5 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.56 -43.71 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.3 -39.0 2.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -44.27 151.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -74.39 138.27 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.4 mt -87.01 132.55 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.0 mt -131.21 116.0 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.39 -73.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.1 122.99 45.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 t -115.76 119.13 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.65 103.73 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -80.27 117.48 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.75 162.44 41.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.82 28.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.57 42.02 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.0 m-20 -163.36 162.04 24.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.665 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 27.1 p -90.19 145.04 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -148.55 176.45 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.6 m80 -93.25 157.68 38.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -1.42 8.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 15.5 pt-20 -122.91 -32.51 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.91 -60.02 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 8.7 t80 -52.41 93.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.1 mtt85 -124.16 167.8 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -62.59 167.32 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.96 -0.98 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -120.96 -32.86 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -126.12 -4.6 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 27.7 mm-40 52.54 54.87 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.1 tt0 -105.59 129.02 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 42' ' ' ALA . 67.7 t -43.26 113.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.1 mt -101.7 41.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.18 -61.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.16 -49.41 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.7 pt -56.78 -32.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.462 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 101.79 174.62 28.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -139.1 163.95 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG11 ' ND1' ' A' ' 59' ' ' HIS . 46.2 t -134.68 101.39 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.93 137.96 20.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -168.55 130.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.8 36.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.5 34.08 88.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -140.81 147.0 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -90.73 117.75 29.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.03 157.24 34.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -94.67 147.46 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' NH1' HD22 ' A' ' 60' ' ' ASN . 4.5 mmm180 -35.31 -52.51 1.26 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.4 Cg_exo -48.02 -64.91 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 94.4 m -57.68 -67.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.559 ' ND1' HG11 ' A' ' 47' ' ' VAL . 33.5 t-80 -36.6 -45.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.508 HD22 ' NH1' ' A' ' 56' ' ' ARG . 8.7 m120 -59.53 -41.01 89.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 97.5 mtt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.38 145.8 53.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -92.09 -38.24 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -49.3 -70.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -88.72 -46.86 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.87 -36.91 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -42.56 158.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -81.58 130.93 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.8 mt -82.42 131.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mt -131.96 117.22 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.75 -73.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -116.91 118.37 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 15' ' ' ILE . 13.1 t -113.73 119.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -89.46 102.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -79.01 115.71 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.16 160.91 42.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 44.18 26.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 69.03 39.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.1 m-80 -161.47 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.667 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.2 p -90.92 143.75 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -148.07 173.82 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' HG12 ' A' ' 15' ' ' ILE . 27.7 m80 -89.93 157.17 46.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.2 8.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -123.46 -26.51 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 20.8 m -72.23 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -54.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 41.5 mtp180 -127.03 155.34 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' LEU . 24.9 t -45.89 156.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -99.2 12.64 35.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.66 -36.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -121.98 -11.89 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.5 mm-40 62.24 53.71 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -105.8 127.05 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 42' ' ' ALA . 57.9 t -42.03 120.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 44' ' ' ILE . 2.3 mt -112.58 39.33 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -93.17 -34.96 13.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -106.02 -47.63 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.51 HD11 HD23 ' A' ' 41' ' ' LEU . 12.0 pt -69.14 -24.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.05 172.29 41.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -130.84 171.56 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.737 HG11 ' ND1' ' A' ' 59' ' ' HIS . 40.3 t -134.36 103.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -50.64 133.89 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -167.25 114.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.21 44.02 19.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.52 23.19 62.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -126.75 159.72 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 1.5 p-80 -111.13 106.74 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.62 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.443 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.9 p -105.52 149.52 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt180 -38.0 -51.64 3.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.97 -58.23 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.6 m -66.01 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.737 ' ND1' HG11 ' A' ' 47' ' ' VAL . 30.0 t-80 -39.8 -37.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -68.26 -45.92 71.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.73 144.72 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -92.94 -39.32 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp-100 -46.3 -68.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.47 -43.89 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.88 -37.25 3.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.94 150.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -72.78 138.43 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.9 mt -87.89 131.02 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 mt -130.03 117.31 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -116.73 123.3 46.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.356 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.7 t -116.27 120.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -91.89 103.43 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -77.61 113.59 15.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -151.47 160.57 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.487 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 8.3 mmm 40.37 45.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.487 ' CG ' ' C ' ' A' ' 23' ' ' MET . 0.1 OUTLIER 50.47 45.32 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 58.3 m-80 -168.9 159.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.8 p -87.51 148.19 25.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.7 m95 -149.47 173.53 13.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 24.3 m80 -91.04 157.79 42.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -124.76 -26.71 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.8 m -71.3 -56.83 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.5 t80 -58.31 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 39.9 mtp180 -125.43 165.05 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 41' ' ' LEU . 9.6 t -55.17 168.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.1 -5.18 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.11 -35.92 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.6 p -122.19 -5.08 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 25.3 mm-40 52.75 54.85 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.3 tt0 -104.88 131.18 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 42' ' ' ALA . 85.7 t -42.04 117.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 4.2 mt -106.86 37.52 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -85.07 -57.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -87.33 -55.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 45' ' ' GLY . 36.8 pt -56.12 -30.18 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 88.46 171.53 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -123.72 172.62 8.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.7 t -136.3 106.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' SD ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -51.65 126.51 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 17.8 t-20 -156.33 125.92 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 45.22 36.37 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.77 69.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -139.61 142.3 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -90.69 109.93 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.02 168.76 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -99.02 149.39 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.7 mmm-85 -35.2 -52.98 1.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -47.99 -65.62 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.4 m -58.09 -65.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.802 ' CD2' HG11 ' A' ' 47' ' ' VAL . 86.0 t60 -36.81 -45.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -57.59 -41.92 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 82.1 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.71 141.0 45.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -91.32 -38.08 12.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.92 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -86.36 -41.23 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.0 -36.06 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.431 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -46.67 152.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -76.79 138.21 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -87.4 129.74 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.6 mt -127.82 107.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.5 -72.74 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 3.1 ttt85 -117.4 119.21 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' HB ' ' A' ' 15' ' ' ILE . 5.7 t -114.31 117.42 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 mm -88.47 106.71 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -82.52 116.29 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.85 167.44 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.6 mtp 39.07 32.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 5.4 m-80 62.57 44.71 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 59.9 m-20 -168.56 163.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.642 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 39.6 p -89.73 146.22 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.8 m95 -149.88 171.02 17.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -88.4 158.43 48.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 0.42 5.69 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -127.63 -27.14 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 52.1 m -71.0 -52.89 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 10.6 t80 -60.01 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.601 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 40.9 mtp180 -123.98 168.08 13.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.5 t -59.04 167.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -106.0 -1.11 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -119.99 -33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -125.55 -5.63 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 29.9 mm-40 54.15 54.05 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.9 tt0 -103.55 130.43 50.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -43.84 114.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.503 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -103.35 43.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.25 -57.21 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.99 -36.75 18.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 pt -78.08 -23.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.65 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 12.1 p90 -124.76 169.5 11.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.78 HG11 ' ND1' ' A' ' 59' ' ' HIS . 48.6 t -134.33 100.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -48.09 122.16 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 44.5 t-20 -149.36 130.46 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 36.37 36.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -144.25 140.79 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -83.39 109.74 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.8 mt -118.06 170.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.4 p -102.95 148.06 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.3 mmm-85 -35.32 -52.69 1.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.97 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.373 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.4 m -57.74 -65.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.78 ' ND1' HG11 ' A' ' 47' ' ' VAL . 23.8 t-80 -38.41 -37.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.8 m-20 -67.31 -40.8 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' CYS . 24.4 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -66.7 145.05 55.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -92.18 -39.25 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 56.1 tp60 -45.69 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.84 -44.18 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.01 -35.03 3.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -47.93 151.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.62 138.76 46.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG21 ' HA ' ' A' ' 19' ' ' VAL . 13.6 mt -87.25 130.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mt -129.99 114.84 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.63 -75.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -116.18 123.24 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HA ' HG21 ' A' ' 15' ' ' ILE . 8.0 t -114.58 120.8 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.51 106.95 18.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -83.01 115.45 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.21 163.09 40.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.8 mmm 40.97 32.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 38.2 m-80 62.37 44.18 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 65.8 m-80 -166.53 161.96 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.7 p -89.68 146.84 24.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.1 m95 -150.44 171.61 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -87.93 157.35 51.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 9.3 pt-20 -123.13 -31.11 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 m -66.87 -63.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.9 t80 -48.03 88.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' CYS . 31.0 mtt85 -120.23 166.43 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.9 t -60.64 158.13 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.41 11.98 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -130.43 -34.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.36 -10.28 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 62.26 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -108.4 131.63 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 42' ' ' ALA . 66.5 t -46.48 114.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -102.88 41.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -94.7 -50.84 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.01 -48.03 7.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.0 pt -67.97 -35.61 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 95.83 161.97 33.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -114.17 172.19 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.689 HG11 ' ND1' ' A' ' 59' ' ' HIS . 55.5 t -135.19 109.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.86 116.29 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 45.9 t-20 -149.94 127.51 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.28 36.0 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.57 30.31 76.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.32 141.67 41.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -85.95 107.97 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.6 mt -115.53 168.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 p -101.92 149.64 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.0 mtp180 -35.97 -52.53 1.57 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -48.03 -65.14 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.8 m -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.689 ' ND1' HG11 ' A' ' 47' ' ' VAL . 13.6 t-80 -38.16 -47.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -55.29 -41.98 73.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' CYS . 93.8 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.0 t -65.14 143.11 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 26.0 t60 -92.46 -36.24 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -52.23 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -84.81 -43.4 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.23 -33.96 4.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.18 149.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -70.52 133.33 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' OG ' ' A' ' 26' ' ' SER . 12.7 mt -85.88 130.07 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.92 119.61 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.96 -71.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CD ' ' HB3' ' A' ' 29' ' ' PRO . 17.5 ttt85 -118.33 109.09 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.768 HG13 ' OG ' ' A' ' 26' ' ' SER . 3.3 t -106.29 126.46 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -99.44 112.6 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -86.5 120.41 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -160.25 162.66 33.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 mmm 41.89 28.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 66.65 42.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 57.5 m-80 -165.52 159.54 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.768 ' OG ' HG13 ' A' ' 19' ' ' VAL . 42.2 t -89.66 146.21 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -148.65 173.86 12.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.41 156.79 53.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.77 -0.2 6.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.468 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.3 pt-20 -124.38 -32.59 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.6 m -63.97 -62.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 10.3 t80 -50.72 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 34.7 mtt85 -121.76 163.14 19.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.529 ' HA ' HD11 ' A' ' 41' ' ' LEU . 22.4 t -56.57 156.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.7 12.39 35.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' HD22 ' A' ' 54' ' ' LEU . 21.5 mt -131.77 -35.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.01 -9.58 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 60.89 55.03 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 7.5 tt0 -108.2 127.08 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.4 t -41.39 116.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.0 mt -105.01 38.95 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.54 -48.15 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -93.66 -46.77 7.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.454 HD11 HD23 ' A' ' 41' ' ' LEU . 49.0 pt -68.87 -34.05 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 96.12 173.37 35.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -123.41 174.65 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 54' ' ' LEU . 59.0 t -138.33 105.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.34 122.7 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -160.08 128.11 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.0 36.66 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.02 73.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -138.57 142.81 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 112.11 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -116.43 165.55 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.4 p -96.55 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -36.28 -52.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' ARG . 65.9 Cg_exo -47.94 -65.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -57.51 -69.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 13.2 t-80 -34.06 -47.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.35 -44.96 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' CYS . 98.1 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.21 142.97 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.356 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -91.04 -36.06 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -51.33 -72.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.65 -47.11 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.18 -36.26 2.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.58 160.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -83.78 133.09 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.453 ' HB ' HG22 ' A' ' 19' ' ' VAL . 12.5 mt -84.39 132.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.02 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.94 -73.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -115.48 115.47 26.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.1 t -112.57 117.98 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.19 104.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -80.3 116.21 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.37 164.5 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 mmm 42.19 32.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 62.16 41.8 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 55.8 m-80 -166.15 163.04 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 18.7 p -88.33 147.97 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.59 171.17 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -88.79 157.74 48.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.49 8.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.0 pt-20 -124.19 -26.52 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.5 m -71.12 -61.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 14.2 t80 -51.15 97.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.9 mtt85 -129.85 169.77 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.9 t -65.26 157.42 29.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -100.02 12.31 37.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 58' ' ' CYS . 13.5 mt -131.03 -35.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.4 -9.14 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 60.06 54.97 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -106.68 128.73 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.7 t -44.76 113.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.5 mt -103.39 39.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.31 -57.91 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.56 -49.6 6.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 41' ' ' LEU . 19.4 pt -59.73 -27.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 91.0 168.06 41.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.447 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -126.14 170.72 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 59' ' ' HIS . 21.9 t -135.19 105.77 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -49.02 140.16 9.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 22.8 t-20 -170.28 113.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.17 40.9 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.08 28.51 73.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -132.99 146.17 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -93.77 109.98 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 2.3 mt -117.04 164.72 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.7 p -101.47 149.82 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 21.9 mtt-85 -37.64 -51.76 2.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.97 -58.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -66.88 -66.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.1 t60 -37.44 -34.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.6 m-20 -70.71 -43.09 69.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.0 ptm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.06 144.7 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -91.01 -39.84 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.4 tp-100 -47.11 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.59 -46.72 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.01 2.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -43.79 160.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -82.55 133.81 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -84.28 131.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.4 mt -132.43 116.22 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.9 -73.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -115.4 116.38 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 15' ' ' ILE . 6.7 t -110.68 115.24 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -88.48 101.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -78.03 119.51 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.07 161.84 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.61 29.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 44.1 m-20 65.84 42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 68.1 m-80 -164.07 160.58 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.643 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 20.7 p -89.61 144.57 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -147.74 176.75 9.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.4 m80 -94.33 157.21 37.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HG11 ' A' ' 40' ' ' VAL . 53.9 Cg_endo -69.77 -1.61 8.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.29 -20.67 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.4 m -78.58 -57.43 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -54.82 81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 31' ' ' CYS . 49.7 mtm180 -117.06 169.99 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.4 t -58.53 167.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 17.7 t70 -105.03 0.12 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 19.7 mt -121.72 -37.55 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -120.43 -5.08 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 0.9 OUTLIER 54.08 54.59 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 11.3 tt0 -103.81 120.12 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 29' ' ' PRO . 13.2 t -42.16 111.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.02 38.49 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -51.22 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -102.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 32.9 pt -47.22 -20.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 158.36 31.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -120.59 171.43 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.637 HG11 ' ND1' ' A' ' 59' ' ' HIS . 58.8 t -133.29 99.19 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -54.44 122.96 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -157.26 132.86 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.13 35.2 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.32 31.25 79.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -139.05 144.79 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -88.56 113.95 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 4.5 mt -121.61 163.16 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.0 p -100.22 149.43 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.4 mtt85 -36.88 -52.09 2.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.6 Cg_exo -47.93 -63.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 72.9 m -61.11 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.637 ' ND1' HG11 ' A' ' 47' ' ' VAL . 24.3 t-80 -40.61 -46.46 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -63.57 -39.61 94.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.1 145.17 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -94.91 -38.52 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 38.6 tp60 -48.15 -68.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -90.4 -44.31 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.77 -38.35 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -43.97 150.52 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -73.74 139.09 45.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -88.75 127.94 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.65 109.12 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.02 -74.82 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -117.06 119.8 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.0 t -114.43 120.59 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -91.59 98.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -77.07 115.47 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.95 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.432 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 6.4 mmm 49.33 29.3 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 21.7 m-20 65.86 32.03 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 1.1 m120 -151.8 158.13 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.645 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 44.7 p -88.3 145.85 25.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -150.93 168.12 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.08 157.46 51.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.3 Cg_endo -69.75 -2.24 9.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.02 -22.16 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' ARG . 34.6 m -76.92 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -54.77 81.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' CYS . 72.6 mtm180 -115.09 175.34 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' H ' ' N ' ' A' ' 39' ' ' GLU . 11.9 t -63.08 167.95 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -105.95 0.58 25.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -122.16 -34.19 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -125.0 -5.22 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.496 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 16.9 mm-40 54.74 53.91 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' N ' ' H ' ' A' ' 34' ' ' CYS . 20.1 tt0 -103.64 118.98 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 14.6 t -39.02 110.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -99.65 39.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.45 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.12 -56.02 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.5 pt -53.54 -32.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.51 168.51 38.53 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -119.2 169.04 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.817 HG11 ' ND1' ' A' ' 59' ' ' HIS . 58.9 t -132.58 101.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -47.68 126.43 10.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 t-20 -158.7 119.65 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.71 34.63 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.73 71.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -136.46 142.32 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 109.9 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.1 mt -119.4 164.26 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.1 p -99.34 148.56 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.0 mtt85 -35.08 -52.9 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.823 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.5 Cg_exo -47.91 -59.03 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.3 m -67.06 -62.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.817 ' ND1' HG11 ' A' ' 47' ' ' VAL . 30.1 t-80 -41.62 -28.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -84.16 -33.97 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.5 ptm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 26' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 t -57.52 140.83 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -90.98 -37.86 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 53.6 tp60 -48.62 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -85.93 -39.89 16.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.6 -34.99 4.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -47.98 151.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -75.6 135.22 40.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.0 mt -85.66 135.57 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.4 mt -136.08 113.58 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.05 -69.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -119.49 114.0 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG22 ' HB ' ' A' ' 15' ' ' ILE . 8.6 t -111.11 124.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mm -95.24 105.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -82.54 116.16 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.605 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -155.91 167.85 29.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.2 mtp 40.02 27.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' ALA . 22.1 m-20 67.12 44.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -167.51 164.56 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 57.4 p -90.77 144.43 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -149.4 175.03 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.6 m80 -92.32 158.09 39.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.84 -27.27 3.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 39.9 m -72.09 -53.11 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.605 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 9.3 t80 -60.31 92.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.7 mtp180 -122.8 168.63 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.3 t -60.47 167.85 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 14.7 t70 -106.0 -3.18 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 58' ' ' CYS . 32.2 mt -117.71 -34.58 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -124.54 -5.2 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.9 mm-40 53.29 54.18 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 9.8 tt0 -104.22 130.97 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 42' ' ' ALA . 62.9 t -45.2 114.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.94 37.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.4 -61.35 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.28 -48.45 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.64 -31.44 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.3 162.4 36.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -119.08 171.25 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.752 HG11 ' CD2' ' A' ' 59' ' ' HIS . 45.8 t -135.33 114.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -58.18 123.85 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.43 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.3 t30 -153.39 128.72 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.97 39.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.27 35.62 92.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -142.85 141.78 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -85.1 111.54 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 6.1 mt -119.81 169.38 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.1 p -103.24 148.37 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt-85 -35.06 -53.02 1.14 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.2 Cg_exo -47.98 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 36' ' ' LEU . 73.1 m -59.14 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.752 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -39.67 -44.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.38 -43.93 88.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -151.42 160.0 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -127.79 119.03 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.11 153.66 4.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -100.21 -50.86 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -128.64 102.22 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.81 150.64 18.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.37 143.67 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -91.95 -37.8 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 51.3 tp60 -48.85 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -87.05 -43.0 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.92 -37.45 3.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -45.57 152.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -75.45 138.38 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 19' ' ' VAL . 10.6 mt -85.95 129.33 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -127.77 112.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.8 -73.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 2.6 ttt85 -115.68 121.25 41.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.446 ' HA ' HG21 ' A' ' 15' ' ' ILE . 3.9 t -114.55 114.82 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.456 HD12 ' HB1' ' A' ' 42' ' ' ALA . 15.9 mm -87.33 105.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -81.61 119.32 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.61 162.5 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp 41.69 31.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 36.1 m120 63.61 42.87 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 76.8 m-20 -165.45 160.75 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.631 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.4 p -89.65 144.59 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -147.48 173.06 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -89.96 157.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -2.0 9.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.72 -22.37 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.7 m -76.07 -56.94 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 t80 -58.8 86.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 48.0 mtp180 -119.7 166.15 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.6 t -58.07 164.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -103.63 1.44 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.1 -33.39 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.95 -5.6 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.5 mm-40 53.51 50.61 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 13.3 tt0 -100.44 129.81 46.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.6 t -47.57 114.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 48.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 20' ' ' ILE . . . -96.11 -52.07 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -47.14 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 pt -62.46 -26.37 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.18 169.48 34.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -133.64 169.94 16.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 59' ' ' HIS . 37.2 t -134.54 111.91 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -66.95 120.65 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -152.15 131.71 13.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.9 31.65 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.31 29.71 73.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -135.49 143.21 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 113.2 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.76 166.43 16.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.446 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.4 p -100.76 148.33 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.4 mmm180 -34.87 -53.02 1.08 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.98 -65.09 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.0 m -60.28 -66.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.81 ' CD2' HG11 ' A' ' 47' ' ' VAL . 6.1 t60 -36.47 -46.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 55.2 m-20 -61.28 -40.7 95.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' CYS . 70.4 mtp180 -66.31 -38.44 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.08 -63.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 15.0 pttt -53.37 -28.66 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -37.84 109.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' GLY . 3.1 m -66.7 132.95 49.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -34.68 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.64 26.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -92.82 96.75 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.7 t -127.46 111.74 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -62.86 174.63 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.9 140.05 15.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.41 86.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -68.46 128.01 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -130.88 101.12 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.54 149.03 18.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.41 140.88 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -90.47 -38.38 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.21 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.83 -42.04 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 -37.94 3.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.52 152.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.85 138.94 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.2 mt -87.41 130.36 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 mt -129.12 109.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.05 -73.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -117.04 119.05 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.0 t -113.18 118.44 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -91.38 109.07 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -83.68 118.38 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.96 166.68 32.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp 39.9 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 52.8 t-20 68.2 44.7 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 67.8 m-20 -168.57 165.73 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 35.4 p -90.09 145.05 25.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.47 172.74 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -90.22 157.9 44.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.6 7.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -125.02 -26.8 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 37.2 m -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 28.4 t80 -60.72 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 38.9 mtp180 -123.99 171.08 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.1 t -63.3 168.05 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.6 t70 -105.48 -3.77 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -118.12 -34.12 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -124.87 -4.18 7.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.9 mm-40 51.47 53.21 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 17.8 tt0 -102.24 128.56 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.29 112.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.1 mt -103.03 47.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.64 -52.76 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -92.19 -39.7 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 41' ' ' LEU . 19.2 pt -73.24 -26.95 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.1 166.45 39.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 23.9 p90 -127.28 171.6 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.911 HG11 ' CD2' ' A' ' 59' ' ' HIS . 40.1 t -137.12 105.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.26 115.39 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -144.78 135.3 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.02 34.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.49 34.3 84.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -142.24 143.21 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.593 ' H ' ' CD2' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -85.73 108.91 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 6.3 mt -118.03 169.34 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.3 p -102.69 148.7 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 15.3 mtm180 -36.74 -52.01 1.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -48.02 -60.75 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.6 m -63.83 -67.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.911 ' CD2' HG11 ' A' ' 47' ' ' VAL . 79.8 t60 -38.56 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-20 -78.42 -41.77 32.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.3 ptm180 -61.26 -33.01 72.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.82 -67.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ALA . 12.6 ptmm? -48.52 -32.36 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.83 -56.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -102.1 140.45 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.66 -175.06 21.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.49 4.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -53.93 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 t 62.8 43.55 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.488 179.996 . . . . . . . . 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 1.452 -0.272 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -136.03 142.41 44.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -94.55 86.76 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.32 132.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -93.61 123.09 36.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -102.31 91.84 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 152.68 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 t -63.98 143.72 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -91.04 -38.52 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 31.6 tp60 -46.73 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.31 -44.02 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.93 -37.44 3.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.35 150.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -70.95 138.81 50.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -88.03 132.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -131.29 115.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.54 -76.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -114.73 122.93 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -117.41 118.59 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.48 105.11 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -80.97 116.96 21.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.02 164.12 39.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.043 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.4 mmm 40.69 32.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 51.7 m-80 62.28 43.85 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -165.91 160.96 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.0 p -89.28 147.8 23.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.3 m95 -150.37 171.02 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -87.5 157.7 52.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.27 8.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 18.1 pt-20 -124.06 -31.24 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.1 m -65.31 -60.92 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 16.9 t80 -51.33 97.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 33.9 mtt85 -125.66 165.62 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 41' ' ' LEU . 21.2 t -60.72 159.01 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -101.8 13.44 34.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -131.28 -36.16 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -123.98 -11.52 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 64.45 54.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.56 132.53 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 42' ' ' ALA . 65.0 t -47.36 115.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 34' ' ' CYS . 2.8 mt -104.17 34.04 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.42 -54.1 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -87.85 -55.43 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 8.3 pt -61.56 -17.46 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.92 177.16 44.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -124.45 170.85 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG11 ' ND1' ' A' ' 59' ' ' HIS . 39.2 t -133.4 99.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.91 135.49 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -167.71 125.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.42 39.81 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.94 30.6 77.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -139.52 145.1 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.25 110.69 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -113.94 171.77 7.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.1 p -102.96 149.74 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -35.59 -52.89 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -48.02 -61.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -61.66 -66.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.608 ' ND1' HG11 ' A' ' 47' ' ' VAL . 46.3 t-80 -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 65.5 m-20 -61.18 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' CYS . 77.9 mtt180 -65.2 -45.54 84.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.19 -61.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 4.4 ptmm? -50.39 -37.28 36.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -33.58 120.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t 65.36 41.39 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 170.47 28.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.6 p -44.49 131.84 6.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.1 p -146.37 173.77 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.484 -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 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p 44.2 41.4 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -88.44 95.64 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.91 57.41 6.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -123.58 154.3 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 p -151.47 109.05 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.93 142.91 14.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -62.78 142.61 58.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -90.12 -39.38 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 tp60 -46.46 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.61 -41.92 14.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.15 -37.43 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -45.68 153.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.95 136.91 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HB ' HG22 ' A' ' 19' ' ' VAL . 11.8 mt -85.53 133.41 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.1 mt -132.3 115.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.81 -72.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -117.57 121.25 40.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.6 t -116.98 118.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.2 104.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -80.95 116.98 21.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.54 167.65 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.4 mtp 39.98 29.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 80.1 m-20 64.71 44.27 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 17.8 m120 -168.67 162.86 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.646 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.0 p -89.76 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -148.59 171.8 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -88.66 158.12 48.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.22 6.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -125.92 -25.88 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 26.4 m -73.08 -54.83 7.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 5.7 t80 -59.01 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.599 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.8 mtp180 -124.49 165.47 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -56.27 167.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -106.21 -1.71 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 18.4 mt -118.4 -34.19 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.99 -6.22 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 28.9 mm-40 54.62 54.94 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 24.3 tt0 -105.2 131.14 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 42' ' ' ALA . 80.3 t -43.62 114.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -102.57 35.2 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -88.31 -59.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -80.67 -47.63 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 pt -71.3 -25.42 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.18 170.69 47.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -125.1 171.87 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.9 t -132.5 112.46 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.76 124.54 19.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -157.58 131.98 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 43.91 33.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 34.89 88.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.71 140.75 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -84.84 110.5 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.33 172.64 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.6 p -105.18 148.07 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.3 mtp180 -35.75 -52.69 1.47 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.0 Cg_exo -47.93 -65.93 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.0 m -57.16 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.83 ' CD2' HG11 ' A' ' 47' ' ' VAL . 46.5 t60 -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 3.9 m120 -54.02 -41.61 68.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' CYS . 62.8 mtt180 -62.88 -42.46 99.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.74 -60.74 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.39 -33.61 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.71 -58.08 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 t -72.1 148.34 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.14 -177.13 47.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 128.0 15.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -48.81 125.63 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -92.29 134.62 34.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.983 . . . . . . . . 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 -0.327 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -85.28 -53.86 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 43.51 42.35 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.21 68.93 0.85 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -173.47 168.91 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 23.2 m -100.6 108.82 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.57 20.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -60.64 143.14 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -92.09 -36.52 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 20.6 tp60 -49.9 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.82 -46.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.44 -35.14 3.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.6 151.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 6' ' ' SER . 27.9 t80 -73.14 139.84 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 19' ' ' VAL . 9.4 mt -88.33 130.27 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.14 116.06 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.85 -74.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -116.65 120.58 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.8 t -113.36 118.85 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -90.94 102.57 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -79.05 116.26 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.68 167.24 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.3 mtp 38.78 32.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.6 m120 62.12 45.11 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 50.6 m-20 -168.57 162.82 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.9 p -89.4 146.28 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.11 172.56 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -89.68 157.9 45.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.551 0.691 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -0.83 7.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.6 pt-20 -124.21 -29.21 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.2 m -68.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 13.1 t80 -47.68 90.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 33.5 mtt85 -121.36 165.88 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -61.12 156.58 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.52 12.31 36.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.22 -35.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -123.75 -8.64 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 58.92 54.95 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -108.24 129.28 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 42' ' ' ALA . 61.5 t -45.49 111.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -99.62 38.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.97 -55.5 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.43 -52.99 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.9 pt -59.09 -25.84 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.01 157.19 28.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 4.9 p90 -118.33 175.7 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.776 HG11 ' CD2' ' A' ' 59' ' ' HIS . 43.1 t -135.34 120.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.19 112.82 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -144.74 135.65 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.56 35.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.1 36.76 93.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -142.99 140.65 31.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -84.91 110.39 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 mt -120.72 175.57 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.7 p -107.11 147.77 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 17.4 mtm180 -36.06 -52.33 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.98 -59.5 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.5 m -66.83 -68.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 47' ' ' VAL . 28.8 t60 -36.18 -34.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.5 m-20 -69.25 -45.18 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 58' ' ' CYS . 12.3 ptt180 -57.82 -34.0 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.47 -69.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -48.9 -29.58 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.95 126.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 m 53.99 41.61 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.16 145.77 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -17.54 37.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.6 p -155.96 130.19 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -47.95 -60.49 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.505 -179.936 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -94.0 42.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -134.46 121.79 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.39 -152.18 14.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -117.38 -41.99 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.55 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 1.2 t -146.76 128.0 14.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.19 149.5 19.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -66.92 143.41 56.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -91.62 -38.14 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.85 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -87.77 -44.18 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.55 -34.28 4.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.28 152.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 6' ' ' SER . 29.1 t80 -73.5 141.04 46.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 19' ' ' VAL . 12.7 mt -89.19 128.52 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -127.47 113.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.1 -74.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -116.03 122.38 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 15' ' ' ILE . 4.3 t -114.53 116.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.53 109.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.56 118.48 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -156.03 162.3 40.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.4 mtp 42.99 27.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.92 41.2 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 75.7 m-20 -163.12 161.07 24.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 97.6 p -90.02 144.96 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -148.02 172.26 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.71 157.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.18 8.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 4.7 pt-20 -123.89 -28.79 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.5 m -68.07 -62.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -49.76 91.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtt85 -120.08 167.65 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.8 t -63.77 158.29 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.05 11.57 39.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -131.3 -34.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.83 -9.26 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 59.22 54.83 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -108.55 129.89 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.2 t -46.89 113.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 44' ' ' ILE . 3.1 mt -103.51 45.27 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.91 -50.16 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.25 -50.21 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 41' ' ' LEU . 45.0 pt -58.27 -28.89 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.34 171.36 30.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -135.56 167.75 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.776 HG11 ' ND1' ' A' ' 59' ' ' HIS . 42.0 t -134.53 107.22 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -61.18 118.81 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -148.41 132.1 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 47.56 32.56 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.32 30.21 71.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -136.09 148.62 48.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.38 112.55 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 mt -121.47 166.84 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -101.21 149.34 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.1 mtt180 -37.46 -51.7 2.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.96 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.9 m -60.2 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.776 ' ND1' HG11 ' A' ' 47' ' ' VAL . 31.4 t-80 -40.95 -42.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 7.1 m120 -63.06 -40.14 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' CYS . 38.0 mtt-85 -63.76 -38.48 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.01 -66.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.648 ' HE2' ' CE1' ' A' ' 59' ' ' HIS . 9.0 ptpt -50.19 -32.66 16.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -38.81 119.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t 68.3 40.18 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.25 -172.24 20.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.63 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.3 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -113.75 97.39 6.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -105.9 -57.55 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.483 179.967 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -129.54 85.54 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -55.09 111.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.22 77.01 0.27 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -102.64 115.44 30.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -89.26 105.56 17.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.52 148.59 19.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.69 143.88 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.63 -35.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 41.3 tp60 -52.72 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.13 -47.18 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.86 -36.6 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.01 159.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -81.6 132.46 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' HB ' HG22 ' A' ' 19' ' ' VAL . 13.3 mt -83.77 130.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.47 115.87 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.76 -71.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 6.9 ttt180 -118.31 119.84 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.3 t -115.8 116.86 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -88.06 103.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -80.25 117.3 20.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.12 162.4 41.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmm 43.02 28.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 66.04 41.21 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 61.4 m-80 -162.77 161.53 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 24.0 p -89.74 146.69 24.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.9 m95 -149.8 171.32 16.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -88.19 157.99 50.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 7.9 pt-20 -123.86 -33.61 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.4 m -63.02 -61.54 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 18.2 t80 -49.35 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.1 mtt85 -122.31 165.19 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 41' ' ' LEU . 15.1 t -58.55 164.26 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.62 9.25 33.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.81 -35.1 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -124.32 -7.95 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 59.24 54.99 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.2 tt0 -108.7 128.05 54.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 42' ' ' ALA . 68.2 t -41.91 115.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.638 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.4 mt -104.47 34.97 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.72 -54.47 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.7 -52.43 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.613 HD11 HD23 ' A' ' 41' ' ' LEU . 11.4 pt -58.63 -20.67 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.68 160.83 14.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -111.63 167.84 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.832 HG11 ' ND1' ' A' ' 59' ' ' HIS . 56.7 t -132.85 106.43 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -48.63 135.74 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -169.19 119.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.65 33.88 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.38 27.31 71.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -136.32 146.52 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -94.17 111.22 22.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.52 172.12 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.1 p -101.56 149.54 24.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 4.4 mmm-85 -35.92 -52.57 1.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.7 Cg_exo -47.94 -59.86 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 77.3 m -63.75 -69.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.832 ' ND1' HG11 ' A' ' 47' ' ' VAL . 39.2 t-80 -35.25 -42.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 9.3 m120 -64.1 -44.86 91.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 37.3 mtt-85 -59.88 -45.52 92.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.18 -62.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 11.6 ptmm? -54.0 -39.21 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -48.69 -59.78 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.9 t -48.31 108.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.78 165.73 11.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -14.56 36.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.636 2.224 . . . . 0.0 112.399 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 m -138.39 139.81 39.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -166.84 114.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.481 -179.972 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -139.63 154.92 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -167.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -110.4 134.43 52.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -115.64 99.23 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.96 147.27 17.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.04 144.7 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -92.59 -34.83 13.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 17.7 tp60 -53.95 -68.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -91.1 -47.74 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.55 -37.11 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -43.65 156.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.56 132.94 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -82.91 132.95 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -133.89 118.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.34 -74.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -116.93 117.8 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 t -111.08 119.64 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -90.9 101.36 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -78.54 115.6 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.81 163.22 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp 42.09 30.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 64.96 41.65 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.1 m-80 -163.91 161.49 22.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.1 p -90.44 144.25 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -147.46 171.48 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -87.49 157.0 53.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.54 8.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 8.8 pt-20 -122.05 -34.2 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.4 m -63.19 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.472 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 7.3 t80 -52.23 92.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.8 mtt85 -122.9 166.22 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.8 t -60.93 166.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.04 0.67 25.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -123.17 -32.88 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -125.66 -4.71 7.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 26.7 mm-40 52.54 54.12 11.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 6.5 tt0 -104.51 129.54 52.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.444 HG12 ' H ' ' A' ' 42' ' ' ALA . 75.5 t -43.82 112.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.7 mt -100.85 40.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.74 -55.9 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.6 -51.58 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 45' ' ' GLY . 46.3 pt -57.76 -32.41 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 102.37 176.32 27.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -139.2 166.88 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.81 HG11 ' ND1' ' A' ' 59' ' ' HIS . 61.0 t -138.14 106.2 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -54.3 135.61 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -164.99 126.94 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.48 34.93 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.23 32.78 76.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -139.64 145.93 39.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -89.17 116.57 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -123.5 157.04 34.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 25.0 p -94.24 149.75 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.7 mtt180 -36.24 -52.29 1.71 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -47.97 -62.75 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.4 m -60.99 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.81 ' ND1' HG11 ' A' ' 47' ' ' VAL . 27.0 t-80 -36.03 -40.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 59.6 m-20 -68.79 -43.28 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 67.1 mtt-85 -59.51 -42.8 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.99 -65.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 64' ' ' ALA . 13.1 ptmt -50.83 -37.03 40.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -35.62 120.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -81.56 141.35 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.22 -179.23 25.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 2.44 3.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 t -128.04 121.49 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 p -48.5 150.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.496 -179.979 . . . . . . . . 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 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -66.68 127.61 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -73.46 82.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.8 -108.87 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 52.07 40.09 27.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -107.11 99.78 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.01 154.85 16.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -65.96 143.93 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -91.87 -38.9 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -46.22 -68.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.23 -44.04 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.34 -37.35 2.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.51 150.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.79 139.92 47.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HB ' HG22 ' A' ' 19' ' ' VAL . 6.3 mt -89.21 130.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.53 118.47 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.47 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -117.22 119.77 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.2 t -112.6 117.94 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -89.81 104.01 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -79.91 115.77 19.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.57 163.73 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 mtp 41.3 31.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.21 43.05 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.5 m-80 -166.13 161.67 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.669 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.5 p -89.4 146.31 24.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.669 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -149.09 174.18 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' A' ' 15' ' ' ILE . 25.6 m80 -90.47 156.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.4 Cg_endo -69.75 -2.07 9.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.54 -23.93 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 23.6 m -73.67 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.36 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' CYS . 62.5 mtm180 -116.97 174.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 41' ' ' LEU . 10.2 t -63.19 168.68 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.24 -4.31 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -118.39 -34.47 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.7 p -124.24 -1.85 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 14.4 mm-40 48.68 55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' N ' ' H ' ' A' ' 34' ' ' CYS . 18.0 tt0 -103.53 119.9 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 40' ' ' VAL . 21.1 t -39.64 110.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 34' ' ' CYS . 1.2 mt -101.94 38.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.49 -54.6 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.04 -57.28 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 41' ' ' LEU . 31.6 pt -47.37 -29.17 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.19 166.3 30.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -133.45 164.05 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.655 HG11 ' CD2' ' A' ' 59' ' ' HIS . 46.9 t -129.86 100.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.02 134.31 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -163.58 130.64 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.36 37.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 33.54 86.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.85 147.68 39.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.01 117.74 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.89 158.01 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -97.7 149.3 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mtm180 -36.75 -52.04 1.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 63.7 Cg_exo -47.91 -62.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -61.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.655 ' CD2' HG11 ' A' ' 47' ' ' VAL . 84.5 t60 -38.4 -46.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 66.5 m-20 -61.33 -39.77 91.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' CYS . 55.1 mtp180 -63.12 -37.17 86.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.2 -67.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 7.5 ptmm? -48.68 -30.86 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -38.18 123.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -84.29 78.1 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.66 173.72 25.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.83 2.62 3.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' PRO . 40.4 t -37.97 -53.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -39.62 -46.56 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.519 -179.97 . . . . . . . . 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 -0.302 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -81.72 125.37 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.933 0.397 . . . . 0.0 110.833 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -78.56 -48.82 14.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.07 162.04 27.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -118.39 -51.97 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -126.74 88.57 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.12 148.06 18.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.63 142.5 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -91.51 -38.83 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.2 tp-100 -47.19 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.87 -42.24 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.66 -38.19 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.2 152.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.07 139.82 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -88.92 132.73 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.16 111.03 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.12 -74.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -116.52 121.97 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 t -116.71 120.38 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -92.11 104.99 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -79.88 115.55 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -152.56 166.2 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 38.98 32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 9.1 m120 62.97 44.88 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ALA . 63.5 m-20 -167.67 163.94 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.2 p -89.87 146.71 24.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.54 172.41 15.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -89.73 157.91 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -1.71 8.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.368 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -123.97 -24.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.3 m -74.78 -58.89 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 32.8 t80 -52.49 83.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 62.1 mtm180 -117.27 170.48 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.7 t -59.01 167.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.42 -1.64 24.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -120.16 -33.94 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 p -125.32 -2.03 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 10.5 mm-40 50.22 55.0 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 28.1 tt0 -104.89 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 40' ' ' VAL . 20.3 t -37.99 111.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -101.79 39.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.73 -51.45 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.11 -53.79 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 pt -60.74 -14.82 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 173.92 36.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -125.58 171.2 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.909 HG11 ' CD2' ' A' ' 59' ' ' HIS . 59.6 t -131.23 97.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 121.45 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -154.12 134.24 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.11 28.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.42 36.22 63.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -143.98 139.34 29.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -82.14 110.2 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.54 167.16 11.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.4 p -101.31 149.02 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.9 mmt180 -37.02 -51.88 2.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.0 Cg_exo -48.01 -65.45 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.9 m -58.0 -69.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.909 ' CD2' HG11 ' A' ' 47' ' ' VAL . 39.9 t60 -35.66 -47.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 3.9 m120 -55.19 -45.42 75.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' CYS . 51.1 mtp180 -56.41 -45.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.56 -64.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -48.17 -30.04 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -38.2 -58.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -99.26 136.63 38.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.28 153.73 21.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -134.83 123.2 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -45.38 102.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.482 179.995 . . . . . . . . 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 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -156.81 130.52 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -100.24 128.25 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.34 62.07 0.29 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -150.65 114.07 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -89.93 104.98 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.45 143.72 16.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.1 t -61.38 145.37 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -93.4 -39.63 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -46.5 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.56 -43.71 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.3 -39.0 2.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -44.27 151.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -74.39 138.27 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.4 mt -87.01 132.55 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.0 mt -131.21 116.0 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.39 -73.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.1 122.99 45.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 t -115.76 119.13 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.65 103.73 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -80.27 117.48 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.75 162.44 41.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.82 28.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.57 42.02 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.0 m-20 -163.36 162.04 24.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.665 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 27.1 p -90.19 145.04 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -148.55 176.45 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.6 m80 -93.25 157.68 38.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -1.42 8.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 15.5 pt-20 -122.91 -32.51 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.91 -60.02 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 8.7 t80 -52.41 93.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.1 mtt85 -124.16 167.8 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -62.59 167.32 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.96 -0.98 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -120.96 -32.86 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -126.12 -4.6 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 27.7 mm-40 52.54 54.87 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.1 tt0 -105.59 129.02 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 42' ' ' ALA . 67.7 t -43.26 113.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.1 mt -101.7 41.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.18 -61.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.16 -49.41 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.7 pt -56.78 -32.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 101.79 174.62 28.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -139.1 163.95 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG11 ' ND1' ' A' ' 59' ' ' HIS . 46.2 t -134.68 101.39 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.93 137.96 20.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -168.55 130.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.8 36.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.5 34.08 88.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -140.81 147.0 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -90.73 117.75 29.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.03 157.24 34.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -94.67 147.46 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' NH1' HD22 ' A' ' 60' ' ' ASN . 4.5 mmm180 -35.31 -52.51 1.26 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.4 Cg_exo -48.02 -64.91 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 94.4 m -57.68 -67.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.559 ' ND1' HG11 ' A' ' 47' ' ' VAL . 33.5 t-80 -36.6 -45.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 8.7 m120 -59.53 -41.01 89.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 97.5 mtt180 -63.27 -35.68 81.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.91 -65.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.537 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 10.1 ptmm? -52.55 -32.13 39.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -45.91 105.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 t -76.17 -65.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.98 164.88 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.1 p -124.32 175.19 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 151.7 29.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.451 -179.975 . . . . . . . . 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 1.452 -0.268 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -99.49 125.62 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -85.91 133.92 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.48 -92.75 0.54 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -59.49 138.42 57.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.499 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 21.8 p -127.38 108.98 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 148.57 18.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.38 145.8 53.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -92.09 -38.24 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -49.3 -70.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -88.72 -46.86 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.87 -36.91 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -42.56 158.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 6' ' ' SER . 12.2 t80 -81.58 130.93 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.8 mt -82.42 131.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mt -131.96 117.22 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.75 -73.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -116.91 118.37 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 15' ' ' ILE . 13.1 t -113.73 119.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -89.46 102.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -79.01 115.71 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.16 160.91 42.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 44.18 26.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 69.03 39.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.1 m-80 -161.47 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.667 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.2 p -90.92 143.75 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -148.07 173.82 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' HG12 ' A' ' 15' ' ' ILE . 27.7 m80 -89.93 157.17 46.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.2 8.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -123.46 -26.51 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 20.8 m -72.23 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -54.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 41.5 mtp180 -127.03 155.34 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' LEU . 24.9 t -45.89 156.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -99.2 12.64 35.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.66 -36.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -121.98 -11.89 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.5 mm-40 62.24 53.71 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -105.8 127.05 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 42' ' ' ALA . 57.9 t -42.03 120.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 44' ' ' ILE . 2.3 mt -112.58 39.33 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -93.17 -34.96 13.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -106.02 -47.63 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.51 HD11 HD23 ' A' ' 41' ' ' LEU . 12.0 pt -69.14 -24.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.05 172.29 41.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -130.84 171.56 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.737 HG11 ' ND1' ' A' ' 59' ' ' HIS . 40.3 t -134.36 103.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -50.64 133.89 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -167.25 114.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.21 44.02 19.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.52 23.19 62.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -126.75 159.72 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 1.5 p-80 -111.13 106.74 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.62 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.443 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.9 p -105.52 149.52 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt180 -38.0 -51.64 3.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.97 -58.23 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.6 m -66.01 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.737 ' ND1' HG11 ' A' ' 47' ' ' VAL . 30.0 t-80 -39.8 -37.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -68.26 -45.92 71.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 -58.43 -44.1 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.19 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ALA . 3.0 ptmm? -51.32 -36.39 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -35.34 -52.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -68.97 145.91 53.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.5 -172.09 39.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 178.59 4.44 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -58.48 109.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 p -127.11 106.98 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.483 179.998 . . . . . . . . 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 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t 58.4 42.25 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 p -99.32 111.66 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.28 132.55 3.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -74.06 -44.72 53.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -113.85 32.83 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.1 152.18 32.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.73 144.72 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -92.94 -39.32 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp-100 -46.3 -68.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.47 -43.89 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.88 -37.25 3.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.94 150.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -72.78 138.43 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.9 mt -87.89 131.02 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 mt -130.03 117.31 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -116.73 123.3 46.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.356 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.7 t -116.27 120.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -91.89 103.43 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -77.61 113.59 15.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -151.47 160.57 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.487 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 8.3 mmm 40.37 45.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.487 ' CG ' ' C ' ' A' ' 23' ' ' MET . 0.1 OUTLIER 50.47 45.32 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 58.3 m-80 -168.9 159.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.8 p -87.51 148.19 25.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.7 m95 -149.47 173.53 13.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 24.3 m80 -91.04 157.79 42.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -124.76 -26.71 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.8 m -71.3 -56.83 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.5 t80 -58.31 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 39.9 mtp180 -125.43 165.05 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 41' ' ' LEU . 9.6 t -55.17 168.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.1 -5.18 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.11 -35.92 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.6 p -122.19 -5.08 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 25.3 mm-40 52.75 54.85 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.3 tt0 -104.88 131.18 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 42' ' ' ALA . 85.7 t -42.04 117.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 4.2 mt -106.86 37.52 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -85.07 -57.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -87.33 -55.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 45' ' ' GLY . 36.8 pt -56.12 -30.18 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 88.46 171.53 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -123.72 172.62 8.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.7 t -136.3 106.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' SD ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -51.65 126.51 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 17.8 t-20 -156.33 125.92 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 45.22 36.37 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.77 69.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -139.61 142.3 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -90.69 109.93 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.02 168.76 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -99.02 149.39 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.7 mmm-85 -35.2 -52.98 1.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -47.99 -65.62 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.4 m -58.09 -65.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.802 ' CD2' HG11 ' A' ' 47' ' ' VAL . 86.0 t60 -36.81 -45.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 20.8 m-20 -57.59 -41.92 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 82.1 mtt180 -66.12 -42.28 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.6 -57.73 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 6.5 ptpp? -58.43 -31.34 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -64.71 -53.67 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ALA . 4.5 m -36.52 -51.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.97 164.23 32.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 104.25 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -76.1 176.91 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.5 m -134.45 143.43 47.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.476 -179.992 . . . . . . . . 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 -0.35 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -43.81 128.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -139.74 136.94 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.32 52.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -140.35 110.27 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m -89.63 105.58 17.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.75 14.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.71 141.0 45.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -91.32 -38.08 12.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.92 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -86.36 -41.23 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.0 -36.06 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.431 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -46.67 152.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -76.79 138.21 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -87.4 129.74 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.6 mt -127.82 107.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.5 -72.74 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 3.1 ttt85 -117.4 119.21 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' HB ' ' A' ' 15' ' ' ILE . 5.7 t -114.31 117.42 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 mm -88.47 106.71 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -82.52 116.29 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.85 167.44 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.6 mtp 39.07 32.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 5.4 m-80 62.57 44.71 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 59.9 m-20 -168.56 163.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.642 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 39.6 p -89.73 146.22 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.8 m95 -149.88 171.02 17.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -88.4 158.43 48.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 0.42 5.69 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -127.63 -27.14 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 52.1 m -71.0 -52.89 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 10.6 t80 -60.01 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.601 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 40.9 mtp180 -123.98 168.08 13.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.5 t -59.04 167.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -106.0 -1.11 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -119.99 -33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -125.55 -5.63 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 29.9 mm-40 54.15 54.05 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.9 tt0 -103.55 130.43 50.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -43.84 114.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -103.35 43.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.25 -57.21 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.99 -36.75 18.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 pt -78.08 -23.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.65 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 12.1 p90 -124.76 169.5 11.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.78 HG11 ' ND1' ' A' ' 59' ' ' HIS . 48.6 t -134.33 100.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -48.09 122.16 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 44.5 t-20 -149.36 130.46 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 36.37 36.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -144.25 140.79 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -83.39 109.74 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.8 mt -118.06 170.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.4 p -102.95 148.06 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.3 mmm-85 -35.32 -52.69 1.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.97 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.373 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.4 m -57.74 -65.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.78 ' ND1' HG11 ' A' ' 47' ' ' VAL . 23.8 t-80 -38.41 -37.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.605 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 24.8 m-20 -67.31 -40.8 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' CYS . 24.4 mtm180 -57.21 -43.79 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.09 -67.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' HD2' ' CE1' ' A' ' 59' ' ' HIS . 11.7 ptmm? -50.07 -35.94 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -33.79 -64.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -81.93 155.71 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 169.35 -133.97 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.81 10.84 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 67' ' ' PRO . 37.2 m -31.02 130.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -118.58 167.47 11.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.218 -0.768 . . . . 0.0 112.448 179.976 . . . . . . . . 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 -0.3 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -60.52 153.22 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -123.81 84.61 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.81 163.43 22.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -144.28 131.73 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.86 125.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.88 151.7 19.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -66.7 145.05 55.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -92.18 -39.25 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 56.1 tp60 -45.69 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.84 -44.18 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.01 -35.03 3.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -47.93 151.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.62 138.76 46.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG21 ' HA ' ' A' ' 19' ' ' VAL . 13.6 mt -87.25 130.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mt -129.99 114.84 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.63 -75.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -116.18 123.24 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HA ' HG21 ' A' ' 15' ' ' ILE . 8.0 t -114.58 120.8 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.51 106.95 18.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -83.01 115.45 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.21 163.09 40.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.8 mmm 40.97 32.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 38.2 m-80 62.37 44.18 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 65.8 m-80 -166.53 161.96 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.7 p -89.68 146.84 24.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.1 m95 -150.44 171.61 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -87.93 157.35 51.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 9.3 pt-20 -123.13 -31.11 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 m -66.87 -63.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.9 t80 -48.03 88.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' CYS . 31.0 mtt85 -120.23 166.43 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.9 t -60.64 158.13 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.41 11.98 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -130.43 -34.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.36 -10.28 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 62.26 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -108.4 131.63 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 42' ' ' ALA . 66.5 t -46.48 114.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -102.88 41.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -94.7 -50.84 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.01 -48.03 7.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.0 pt -67.97 -35.61 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 95.83 161.97 33.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -114.17 172.19 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.689 HG11 ' ND1' ' A' ' 59' ' ' HIS . 55.5 t -135.19 109.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.86 116.29 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 45.9 t-20 -149.94 127.51 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.28 36.0 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.57 30.31 76.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.32 141.67 41.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -85.95 107.97 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.6 mt -115.53 168.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 p -101.92 149.64 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.466 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.0 mtp180 -35.97 -52.53 1.57 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -48.03 -65.14 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.8 m -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.689 ' ND1' HG11 ' A' ' 47' ' ' VAL . 13.6 t-80 -38.16 -47.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 5.2 m120 -55.29 -41.98 73.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' CYS . 93.8 mtt180 -60.49 -43.5 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.53 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.06 -36.27 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -35.56 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -103.37 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.75 155.36 15.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 0.48 5.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.8 t -68.89 103.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.2 m 55.8 47.63 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -86.79 101.39 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.814 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -123.45 112.8 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.49 143.57 11.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -104.98 -179.88 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 63.2 m -115.56 97.18 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.31 155.37 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.0 t -65.14 143.11 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 26.0 t60 -92.46 -36.24 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -52.23 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -84.81 -43.4 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.23 -33.96 4.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.18 149.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 6' ' ' SER . 31.5 t80 -70.52 133.33 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' OG ' ' A' ' 26' ' ' SER . 12.7 mt -85.88 130.07 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.92 119.61 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.96 -71.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CD ' ' HB3' ' A' ' 29' ' ' PRO . 17.5 ttt85 -118.33 109.09 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.768 HG13 ' OG ' ' A' ' 26' ' ' SER . 3.3 t -106.29 126.46 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -99.44 112.6 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -86.5 120.41 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -160.25 162.66 33.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 mmm 41.89 28.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 66.65 42.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 57.5 m-80 -165.52 159.54 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.768 ' OG ' HG13 ' A' ' 19' ' ' VAL . 42.2 t -89.66 146.21 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -148.65 173.86 12.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.41 156.79 53.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.77 -0.2 6.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.3 pt-20 -124.38 -32.59 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.6 m -63.97 -62.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 10.3 t80 -50.72 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 34.7 mtt85 -121.76 163.14 19.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.529 ' HA ' HD11 ' A' ' 41' ' ' LEU . 22.4 t -56.57 156.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.7 12.39 35.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' HD22 ' A' ' 54' ' ' LEU . 21.5 mt -131.77 -35.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.01 -9.58 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 60.89 55.03 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 7.5 tt0 -108.2 127.08 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.4 t -41.39 116.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.0 mt -105.01 38.95 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.54 -48.15 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -93.66 -46.77 7.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.454 HD11 HD23 ' A' ' 41' ' ' LEU . 49.0 pt -68.87 -34.05 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 96.12 173.37 35.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -123.41 174.65 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 54' ' ' LEU . 59.0 t -138.33 105.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.34 122.7 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -160.08 128.11 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.0 36.66 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.02 73.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -138.57 142.81 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 112.11 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -116.43 165.55 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.4 p -96.55 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -36.28 -52.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' ARG . 65.9 Cg_exo -47.94 -65.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -57.51 -69.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' CYS . 13.2 t-80 -34.06 -47.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 24.7 m-20 -56.35 -44.96 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' CYS . 98.1 mtt180 -56.02 -43.46 77.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.75 -63.14 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.83 -34.31 39.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -35.96 128.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m 51.76 42.46 29.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.53 176.77 54.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 t -121.3 104.0 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.1 m -77.75 83.27 4.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.544 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -108.28 110.99 22.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -82.98 43.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.69 -148.26 17.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -120.25 -51.2 2.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.585 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 23.5 m -106.21 113.5 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.25 146.66 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.21 142.97 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.356 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -91.04 -36.06 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -51.33 -72.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.65 -47.11 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.18 -36.26 2.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.58 160.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE1' ' O ' ' A' ' 6' ' ' SER . 9.8 t80 -83.78 133.09 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.453 ' HB ' HG22 ' A' ' 19' ' ' VAL . 12.5 mt -84.39 132.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.02 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.94 -73.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -115.48 115.47 26.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.1 t -112.57 117.98 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.19 104.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -80.3 116.21 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.37 164.5 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 mmm 42.19 32.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 62.16 41.8 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 55.8 m-80 -166.15 163.04 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 18.7 p -88.33 147.97 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.59 171.17 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -88.79 157.74 48.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.49 8.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.0 pt-20 -124.19 -26.52 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.5 m -71.12 -61.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 14.2 t80 -51.15 97.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.9 mtt85 -129.85 169.77 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.9 t -65.26 157.42 29.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -100.02 12.31 37.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 58' ' ' CYS . 13.5 mt -131.03 -35.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.4 -9.14 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 60.06 54.97 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -106.68 128.73 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.7 t -44.76 113.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.5 mt -103.39 39.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.31 -57.91 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.56 -49.6 6.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 41' ' ' LEU . 19.4 pt -59.73 -27.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 91.0 168.06 41.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.447 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -126.14 170.72 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 59' ' ' HIS . 21.9 t -135.19 105.77 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -49.02 140.16 9.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 22.8 t-20 -170.28 113.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.17 40.9 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.08 28.51 73.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -132.99 146.17 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -93.77 109.98 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 2.3 mt -117.04 164.72 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.7 p -101.47 149.82 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 21.9 mtt-85 -37.64 -51.76 2.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.97 -58.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -66.88 -66.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.1 t60 -37.44 -34.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.6 m-20 -70.71 -43.09 69.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.0 ptm180 -61.03 -34.78 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.39 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 13.5 ptpt -51.34 -31.11 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -44.61 111.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 t -110.37 -64.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.49 -142.67 16.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 111.77 2.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.7 p -49.53 -48.83 48.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.1 t -55.1 -52.88 61.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.435 179.979 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -95.7 101.42 13.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -120.46 108.85 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.89 63.46 4.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -125.13 111.52 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -85.42 32.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.04 153.09 39.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.06 144.7 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -91.01 -39.84 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.4 tp-100 -47.11 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.59 -46.72 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.01 2.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -43.79 160.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -82.55 133.81 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -84.28 131.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.4 mt -132.43 116.22 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.9 -73.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -115.4 116.38 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 15' ' ' ILE . 6.7 t -110.68 115.24 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -88.48 101.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -78.03 119.51 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.07 161.84 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.61 29.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 44.1 m-20 65.84 42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 68.1 m-80 -164.07 160.58 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.643 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 20.7 p -89.61 144.57 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -147.74 176.75 9.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.4 m80 -94.33 157.21 37.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HG11 ' A' ' 40' ' ' VAL . 53.9 Cg_endo -69.77 -1.61 8.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.29 -20.67 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.4 m -78.58 -57.43 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -54.82 81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 31' ' ' CYS . 49.7 mtm180 -117.06 169.99 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.4 t -58.53 167.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 17.7 t70 -105.03 0.12 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 19.7 mt -121.72 -37.55 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -120.43 -5.08 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 0.9 OUTLIER 54.08 54.59 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 11.3 tt0 -103.81 120.12 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 29' ' ' PRO . 13.2 t -42.16 111.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.02 38.49 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -51.22 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -102.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 32.9 pt -47.22 -20.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 158.36 31.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -120.59 171.43 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.836 HG11 ' CD2' ' A' ' 59' ' ' HIS . 58.8 t -133.29 99.19 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -54.44 122.96 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -157.26 132.86 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.13 35.2 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.32 31.25 79.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -139.05 144.79 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -88.56 113.95 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 4.5 mt -121.61 163.16 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.0 p -100.22 149.43 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.4 mtt85 -36.88 -52.09 2.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.6 Cg_exo -47.93 -63.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 72.9 m -61.11 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.836 ' CD2' HG11 ' A' ' 47' ' ' VAL . 73.9 t60 -40.61 -46.46 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -63.57 -39.61 94.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 50.8 mtp180 -62.88 -45.41 92.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.0 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' ALA . 17.0 ptpt -48.38 -33.73 9.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 61' ' ' ARG . . . -37.39 120.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -157.7 110.08 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.27 136.12 7.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -26.22 28.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -148.24 137.91 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -79.36 112.64 16.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.505 -179.959 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -154.25 147.92 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.393 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 t -87.62 109.92 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.26 45.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -120.64 160.94 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 71.2 m -104.38 100.93 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.29 142.79 14.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.1 145.17 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -94.91 -38.52 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 38.6 tp60 -48.15 -68.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -90.4 -44.31 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.77 -38.35 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -43.97 150.52 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 6' ' ' SER . 39.2 t80 -73.74 139.09 45.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -88.75 127.94 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.65 109.12 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.02 -74.82 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -117.06 119.8 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.0 t -114.43 120.59 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -91.59 98.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -77.07 115.47 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.95 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.432 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 6.4 mmm 49.33 29.3 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 21.7 m-20 65.86 32.03 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 1.1 m120 -151.8 158.13 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.645 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 44.7 p -88.3 145.85 25.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -150.93 168.12 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.08 157.46 51.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.3 Cg_endo -69.75 -2.24 9.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.02 -22.16 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' ARG . 34.6 m -76.92 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -54.77 81.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' CYS . 72.6 mtm180 -115.09 175.34 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' H ' ' N ' ' A' ' 39' ' ' GLU . 11.9 t -63.08 167.95 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -105.95 0.58 25.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -122.16 -34.19 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -125.0 -5.22 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 16.9 mm-40 54.74 53.91 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' N ' ' H ' ' A' ' 34' ' ' CYS . 20.1 tt0 -103.64 118.98 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 14.6 t -39.02 110.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -99.65 39.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.45 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.12 -56.02 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.5 pt -53.54 -32.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.51 168.51 38.53 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -119.2 169.04 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.017 HG11 ' CD2' ' A' ' 59' ' ' HIS . 58.9 t -132.58 101.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -47.68 126.43 10.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 1.1 t-20 -158.7 119.65 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.71 34.63 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.73 71.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -136.46 142.32 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 109.9 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.1 mt -119.4 164.26 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.1 p -99.34 148.56 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.0 mtt85 -35.08 -52.9 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.823 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.5 Cg_exo -47.91 -59.03 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.3 m -67.06 -62.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 1.017 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.7 t60 -41.62 -28.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 37.0 m-20 -84.16 -33.97 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.5 ptm180 -73.75 -41.97 61.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 2.6 pp20? -65.66 -54.82 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 15.8 ptpt -60.59 -35.46 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -43.6 119.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m 62.54 50.48 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.3 -152.52 6.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.542 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.7 Cg_endo -69.77 2.92 3.1 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 67' ' ' PRO . 14.6 m -34.25 -59.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -58.81 136.8 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.474 179.984 . . . . . . . . 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 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -121.79 101.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -103.56 -45.44 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.71 152.44 9.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.7 -55.89 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -134.39 176.22 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 136.75 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 t -57.52 140.83 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -90.98 -37.86 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 53.6 tp60 -48.62 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -85.93 -39.89 16.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.6 -34.99 4.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -47.98 151.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -75.6 135.22 40.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.0 mt -85.66 135.57 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.4 mt -136.08 113.58 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.05 -69.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -119.49 114.0 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG22 ' HB ' ' A' ' 15' ' ' ILE . 8.6 t -111.11 124.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mm -95.24 105.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -82.54 116.16 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.605 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -155.91 167.85 29.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.2 mtp 40.02 27.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' ALA . 22.1 m-20 67.12 44.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -167.51 164.56 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 57.4 p -90.77 144.43 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -149.4 175.03 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.6 m80 -92.32 158.09 39.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.84 -27.27 3.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 39.9 m -72.09 -53.11 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.605 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 9.3 t80 -60.31 92.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.7 mtp180 -122.8 168.63 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.3 t -60.47 167.85 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 14.7 t70 -106.0 -3.18 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 58' ' ' CYS . 32.2 mt -117.71 -34.58 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -124.54 -5.2 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.9 mm-40 53.29 54.18 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 9.8 tt0 -104.22 130.97 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 42' ' ' ALA . 62.9 t -45.2 114.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.94 37.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.4 -61.35 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.28 -48.45 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.64 -31.44 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.3 162.4 36.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -119.08 171.25 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.752 HG11 ' CD2' ' A' ' 59' ' ' HIS . 45.8 t -135.33 114.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -58.18 123.85 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.43 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.3 t30 -153.39 128.72 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.97 39.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.27 35.62 92.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -142.85 141.78 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -85.1 111.54 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 6.1 mt -119.81 169.38 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.1 p -103.24 148.37 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt-85 -35.06 -53.02 1.14 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.2 Cg_exo -47.98 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 36' ' ' LEU . 73.1 m -59.14 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.752 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -39.67 -44.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.38 -43.93 88.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -61.5 -38.21 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.99 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 12.1 ptmm? -57.8 -29.62 65.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.79 43.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.0 p -73.55 160.37 31.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.0 -174.92 19.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.47 42.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.0 p -65.99 154.03 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.3 t -74.89 -52.19 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.444 -179.965 . . . . . . . . 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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.37 143.67 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -91.95 -37.8 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 51.3 tp60 -48.85 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -87.05 -43.0 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.92 -37.45 3.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -45.57 152.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -75.45 138.38 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 19' ' ' VAL . 10.6 mt -85.95 129.33 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -127.77 112.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.8 -73.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.439 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 2.6 ttt85 -115.68 121.25 41.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.446 ' HA ' HG21 ' A' ' 15' ' ' ILE . 3.9 t -114.55 114.82 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.456 HD12 ' HB1' ' A' ' 42' ' ' ALA . 15.9 mm -87.33 105.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -81.61 119.32 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.61 162.5 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp 41.69 31.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 36.1 m120 63.61 42.87 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 76.8 m-20 -165.45 160.75 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.631 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.4 p -89.65 144.59 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -147.48 173.06 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -89.96 157.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -2.0 9.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.72 -22.37 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.7 m -76.07 -56.94 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 t80 -58.8 86.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 48.0 mtp180 -119.7 166.15 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.6 t -58.07 164.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -103.63 1.44 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.1 -33.39 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.95 -5.6 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.5 mm-40 53.51 50.61 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 13.3 tt0 -100.44 129.81 46.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.6 t -47.57 114.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 48.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 20' ' ' ILE . . . -96.11 -52.07 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -47.14 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 pt -62.46 -26.37 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.18 169.48 34.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -133.64 169.94 16.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 59' ' ' HIS . 37.2 t -134.54 111.91 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -66.95 120.65 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -152.15 131.71 13.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.9 31.65 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.31 29.71 73.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -135.49 143.21 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 113.2 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.76 166.43 16.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.446 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.4 p -100.76 148.33 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.4 mmm180 -34.87 -53.02 1.08 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.98 -65.09 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.0 m -60.28 -66.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.81 ' CD2' HG11 ' A' ' 47' ' ' VAL . 6.1 t60 -36.47 -46.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -61.28 -40.7 95.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' CYS . 70.4 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.41 140.88 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -90.47 -38.38 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.21 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.83 -42.04 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 -37.94 3.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.52 152.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.85 138.94 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.2 mt -87.41 130.36 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 mt -129.12 109.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.05 -73.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -117.04 119.05 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.0 t -113.18 118.44 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -91.38 109.07 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -83.68 118.38 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.96 166.68 32.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp 39.9 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 52.8 t-20 68.2 44.7 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 67.8 m-20 -168.57 165.73 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 35.4 p -90.09 145.05 25.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.47 172.74 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -90.22 157.9 44.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.6 7.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -125.02 -26.8 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 37.2 m -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 28.4 t80 -60.72 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 38.9 mtp180 -123.99 171.08 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.1 t -63.3 168.05 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.6 t70 -105.48 -3.77 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -118.12 -34.12 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -124.87 -4.18 7.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.9 mm-40 51.47 53.21 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 17.8 tt0 -102.24 128.56 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.29 112.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.1 mt -103.03 47.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.64 -52.76 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -92.19 -39.7 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 41' ' ' LEU . 19.2 pt -73.24 -26.95 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.1 166.45 39.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 23.9 p90 -127.28 171.6 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.911 HG11 ' CD2' ' A' ' 59' ' ' HIS . 40.1 t -137.12 105.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.26 115.39 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -144.78 135.3 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.02 34.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.49 34.3 84.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -142.24 143.21 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -85.73 108.91 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 6.3 mt -118.03 169.34 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.3 p -102.69 148.7 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 15.3 mtm180 -36.74 -52.01 1.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -48.02 -60.75 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.6 m -63.83 -67.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.911 ' CD2' HG11 ' A' ' 47' ' ' VAL . 79.8 t60 -38.56 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-20 -78.42 -41.77 32.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.3 ptm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 t -63.98 143.72 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -91.04 -38.52 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 31.6 tp60 -46.73 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.31 -44.02 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.93 -37.44 3.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.35 150.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -70.95 138.81 50.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -88.03 132.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -131.29 115.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.54 -76.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -114.73 122.93 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -117.41 118.59 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.48 105.11 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -80.97 116.96 21.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.02 164.12 39.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.043 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.4 mmm 40.69 32.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 51.7 m-80 62.28 43.85 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -165.91 160.96 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.0 p -89.28 147.8 23.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.3 m95 -150.37 171.02 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -87.5 157.7 52.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.27 8.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 18.1 pt-20 -124.06 -31.24 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.1 m -65.31 -60.92 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 16.9 t80 -51.33 97.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 33.9 mtt85 -125.66 165.62 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 41' ' ' LEU . 21.2 t -60.72 159.01 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -101.8 13.44 34.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -131.28 -36.16 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -123.98 -11.52 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 64.45 54.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.56 132.53 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 42' ' ' ALA . 65.0 t -47.36 115.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 34' ' ' CYS . 2.8 mt -104.17 34.04 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.42 -54.1 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -87.85 -55.43 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 8.3 pt -61.56 -17.46 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.92 177.16 44.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -124.45 170.85 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 59' ' ' HIS . 39.2 t -133.4 99.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.91 135.49 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -167.71 125.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.42 39.81 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.94 30.6 77.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -139.52 145.1 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.25 110.69 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -113.94 171.77 7.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.1 p -102.96 149.74 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -35.59 -52.89 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -48.02 -61.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -61.66 -66.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.808 ' CD2' HG11 ' A' ' 47' ' ' VAL . 84.7 t60 -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 65.5 m-20 -61.18 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' CYS . 77.9 mtt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -62.78 142.61 58.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -90.12 -39.38 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 tp60 -46.46 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.61 -41.92 14.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.15 -37.43 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -45.68 153.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.95 136.91 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HB ' HG22 ' A' ' 19' ' ' VAL . 11.8 mt -85.53 133.41 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.1 mt -132.3 115.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.81 -72.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -117.57 121.25 40.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.6 t -116.98 118.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.2 104.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -80.95 116.98 21.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.54 167.65 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.4 mtp 39.98 29.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 80.1 m-20 64.71 44.27 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.2 m-80 -168.67 162.86 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.646 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.0 p -89.76 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -148.59 171.8 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -88.66 158.12 48.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.22 6.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -125.92 -25.88 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 26.4 m -73.08 -54.83 7.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 5.7 t80 -59.01 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.599 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.8 mtp180 -124.49 165.47 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -56.27 167.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -106.21 -1.71 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 18.4 mt -118.4 -34.19 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.99 -6.22 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 28.9 mm-40 54.62 54.94 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 24.3 tt0 -105.2 131.14 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 42' ' ' ALA . 80.3 t -43.62 114.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -102.57 35.2 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -88.31 -59.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -80.67 -47.63 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 pt -71.3 -25.42 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.18 170.69 47.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -125.1 171.87 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.9 t -132.5 112.46 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.76 124.54 19.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -157.58 131.98 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 43.91 33.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 34.89 88.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.71 140.75 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -84.84 110.5 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.33 172.64 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.6 p -105.18 148.07 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.3 mtp180 -35.75 -52.69 1.47 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.0 Cg_exo -47.93 -65.93 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.0 m -57.16 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.83 ' CD2' HG11 ' A' ' 47' ' ' VAL . 46.5 t60 -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 17.6 m-20 -54.02 -41.61 68.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' CYS . 62.8 mtt180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -60.64 143.14 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -92.09 -36.52 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 20.6 tp60 -49.9 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.82 -46.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.44 -35.14 3.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.6 151.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -73.14 139.84 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 19' ' ' VAL . 9.4 mt -88.33 130.27 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.14 116.06 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.85 -74.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -116.65 120.58 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.8 t -113.36 118.85 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -90.94 102.57 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -79.05 116.26 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.68 167.24 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.3 mtp 38.78 32.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.6 m120 62.12 45.11 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 50.6 m-20 -168.57 162.82 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.9 p -89.4 146.28 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.11 172.56 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -89.68 157.9 45.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.551 0.691 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -0.83 7.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.6 pt-20 -124.21 -29.21 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.2 m -68.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 13.1 t80 -47.68 90.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 33.5 mtt85 -121.36 165.88 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -61.12 156.58 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.52 12.31 36.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.22 -35.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -123.75 -8.64 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 58.92 54.95 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -108.24 129.28 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 42' ' ' ALA . 61.5 t -45.49 111.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -99.62 38.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.97 -55.5 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.43 -52.99 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.9 pt -59.09 -25.84 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.01 157.19 28.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.413 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 4.9 p90 -118.33 175.7 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.776 HG11 ' CD2' ' A' ' 59' ' ' HIS . 43.1 t -135.34 120.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.19 112.82 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -144.74 135.65 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.56 35.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.1 36.76 93.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -142.99 140.65 31.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -84.91 110.39 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 mt -120.72 175.57 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.7 p -107.11 147.77 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 17.4 mtm180 -36.06 -52.33 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.98 -59.5 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.5 m -66.83 -68.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 47' ' ' VAL . 28.8 t60 -36.18 -34.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.5 m-20 -69.25 -45.18 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 58' ' ' CYS . 12.3 ptt180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -66.92 143.41 56.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -91.62 -38.14 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.85 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -87.77 -44.18 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.55 -34.28 4.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.28 152.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -73.5 141.04 46.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 19' ' ' VAL . 12.7 mt -89.19 128.52 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -127.47 113.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.1 -74.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -116.03 122.38 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 15' ' ' ILE . 4.3 t -114.53 116.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.53 109.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.56 118.48 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -156.03 162.3 40.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.4 mtp 42.99 27.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.92 41.2 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 75.7 m-20 -163.12 161.07 24.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 97.6 p -90.02 144.96 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -148.02 172.26 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.71 157.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.18 8.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 4.7 pt-20 -123.89 -28.79 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.5 m -68.07 -62.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -49.76 91.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtt85 -120.08 167.65 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.8 t -63.77 158.29 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.05 11.57 39.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -131.3 -34.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.83 -9.26 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 59.22 54.83 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -108.55 129.89 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.2 t -46.89 113.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 44' ' ' ILE . 3.1 mt -103.51 45.27 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.91 -50.16 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.25 -50.21 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 41' ' ' LEU . 45.0 pt -58.27 -28.89 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.34 171.36 30.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -135.56 167.75 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.981 HG11 ' CD2' ' A' ' 59' ' ' HIS . 42.0 t -134.53 107.22 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -61.18 118.81 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -148.41 132.1 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 47.56 32.56 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.32 30.21 71.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -136.09 148.62 48.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.38 112.55 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 mt -121.47 166.84 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -101.21 149.34 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.1 mtt180 -37.46 -51.7 2.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.96 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.9 m -60.2 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.981 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.3 t60 -40.95 -42.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 38.4 m-20 -63.06 -40.14 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' CYS . 38.0 mtt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.69 143.88 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.63 -35.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 41.3 tp60 -52.72 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.13 -47.18 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.86 -36.6 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.01 159.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -81.6 132.46 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' HB ' HG22 ' A' ' 19' ' ' VAL . 13.3 mt -83.77 130.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.47 115.87 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.76 -71.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 6.9 ttt180 -118.31 119.84 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.3 t -115.8 116.86 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -88.06 103.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -80.25 117.3 20.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.12 162.4 41.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmm 43.02 28.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 66.04 41.21 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 61.4 m-80 -162.77 161.53 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 24.0 p -89.74 146.69 24.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.9 m95 -149.8 171.32 16.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -88.19 157.99 50.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 7.9 pt-20 -123.86 -33.61 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.4 m -63.02 -61.54 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 18.2 t80 -49.35 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.1 mtt85 -122.31 165.19 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 41' ' ' LEU . 15.1 t -58.55 164.26 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.62 9.25 33.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.81 -35.1 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -124.32 -7.95 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 59.24 54.99 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.2 tt0 -108.7 128.05 54.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 42' ' ' ALA . 68.2 t -41.91 115.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.638 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.4 mt -104.47 34.97 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.72 -54.47 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.7 -52.43 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.613 HD11 HD23 ' A' ' 41' ' ' LEU . 11.4 pt -58.63 -20.67 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.68 160.83 14.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -111.63 167.84 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.032 HG11 ' CD2' ' A' ' 59' ' ' HIS . 56.7 t -132.85 106.43 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -48.63 135.74 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -169.19 119.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.65 33.88 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.38 27.31 71.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -136.32 146.52 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -94.17 111.22 22.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.52 172.12 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.1 p -101.56 149.54 24.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.4 mmm-85 -35.92 -52.57 1.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.7 Cg_exo -47.94 -59.86 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 77.3 m -63.75 -69.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 1.032 ' CD2' HG11 ' A' ' 47' ' ' VAL . 86.1 t60 -35.25 -42.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 68.9 m-20 -64.1 -44.86 91.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 37.3 mtt-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.04 144.7 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -92.59 -34.83 13.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 17.7 tp60 -53.95 -68.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -91.1 -47.74 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.55 -37.11 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -43.65 156.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.56 132.94 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -82.91 132.95 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -133.89 118.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.34 -74.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -116.93 117.8 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 t -111.08 119.64 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -90.9 101.36 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -78.54 115.6 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.81 163.22 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp 42.09 30.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 64.96 41.65 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.1 m-80 -163.91 161.49 22.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.1 p -90.44 144.25 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -147.46 171.48 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -87.49 157.0 53.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.54 8.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 8.8 pt-20 -122.05 -34.2 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.4 m -63.19 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.472 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 7.3 t80 -52.23 92.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.8 mtt85 -122.9 166.22 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.8 t -60.93 166.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.04 0.67 25.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -123.17 -32.88 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -125.66 -4.71 7.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 26.7 mm-40 52.54 54.12 11.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 6.5 tt0 -104.51 129.54 52.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.444 HG12 ' H ' ' A' ' 42' ' ' ALA . 75.5 t -43.82 112.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.7 mt -100.85 40.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.74 -55.9 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.6 -51.58 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 45' ' ' GLY . 46.3 pt -57.76 -32.41 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 102.37 176.32 27.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -139.2 166.88 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.005 HG11 ' CD2' ' A' ' 59' ' ' HIS . 61.0 t -138.14 106.2 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -54.3 135.61 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -164.99 126.94 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.48 34.93 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.23 32.78 76.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -139.64 145.93 39.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -89.17 116.57 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -123.5 157.04 34.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 25.0 p -94.24 149.75 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.7 mtt180 -36.24 -52.29 1.71 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -47.97 -62.75 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.4 m -60.99 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 1.005 ' CD2' HG11 ' A' ' 47' ' ' VAL . 80.0 t60 -36.03 -40.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 59.6 m-20 -68.79 -43.28 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 67.1 mtt-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -65.96 143.93 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -91.87 -38.9 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -46.22 -68.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.23 -44.04 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.34 -37.35 2.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.51 150.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.79 139.92 47.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HB ' HG22 ' A' ' 19' ' ' VAL . 6.3 mt -89.21 130.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.53 118.47 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.47 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -117.22 119.77 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.46 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.2 t -112.6 117.94 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -89.81 104.01 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -79.91 115.77 19.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.57 163.73 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 mtp 41.3 31.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.21 43.05 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.5 m-80 -166.13 161.67 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.669 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.5 p -89.4 146.31 24.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.669 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -149.09 174.18 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' A' ' 15' ' ' ILE . 25.6 m80 -90.47 156.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.4 Cg_endo -69.75 -2.07 9.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.54 -23.93 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 23.6 m -73.67 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.36 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' CYS . 62.5 mtm180 -116.97 174.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 41' ' ' LEU . 10.2 t -63.19 168.68 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.24 -4.31 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -118.39 -34.47 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.7 p -124.24 -1.85 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 14.4 mm-40 48.68 55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' N ' ' H ' ' A' ' 34' ' ' CYS . 18.0 tt0 -103.53 119.9 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 40' ' ' VAL . 21.1 t -39.64 110.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 34' ' ' CYS . 1.2 mt -101.94 38.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.49 -54.6 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.04 -57.28 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 41' ' ' LEU . 31.6 pt -47.37 -29.17 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.19 166.3 30.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -133.45 164.05 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.655 HG11 ' CD2' ' A' ' 59' ' ' HIS . 46.9 t -129.86 100.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.02 134.31 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -163.58 130.64 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.36 37.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 33.54 86.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.85 147.68 39.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.01 117.74 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.89 158.01 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -97.7 149.3 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mtm180 -36.75 -52.04 1.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 63.7 Cg_exo -47.91 -62.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -61.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.655 ' CD2' HG11 ' A' ' 47' ' ' VAL . 84.5 t60 -38.4 -46.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 66.5 m-20 -61.33 -39.77 91.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' CYS . 55.1 mtp180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.63 142.5 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -91.51 -38.83 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.2 tp-100 -47.19 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.87 -42.24 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.66 -38.19 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.2 152.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.07 139.82 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -88.92 132.73 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.16 111.03 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.12 -74.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -116.52 121.97 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 t -116.71 120.38 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -92.11 104.99 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -79.88 115.55 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -152.56 166.2 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 38.98 32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 9.1 m120 62.97 44.88 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ALA . 63.5 m-20 -167.67 163.94 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.2 p -89.87 146.71 24.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.54 172.41 15.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -89.73 157.91 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -1.71 8.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.368 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -123.97 -24.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.3 m -74.78 -58.89 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 32.8 t80 -52.49 83.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 62.1 mtm180 -117.27 170.48 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.7 t -59.01 167.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.42 -1.64 24.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -120.16 -33.94 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 p -125.32 -2.03 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 10.5 mm-40 50.22 55.0 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 28.1 tt0 -104.89 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 40' ' ' VAL . 20.3 t -37.99 111.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -101.79 39.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.73 -51.45 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.11 -53.79 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 pt -60.74 -14.82 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 173.92 36.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -125.58 171.2 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.909 HG11 ' CD2' ' A' ' 59' ' ' HIS . 59.6 t -131.23 97.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 121.45 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -154.12 134.24 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.11 28.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.42 36.22 63.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -143.98 139.34 29.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -82.14 110.2 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.54 167.16 11.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.4 p -101.31 149.02 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.9 mmt180 -37.02 -51.88 2.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.0 Cg_exo -48.01 -65.45 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.9 m -58.0 -69.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.909 ' CD2' HG11 ' A' ' 47' ' ' VAL . 39.9 t60 -35.66 -47.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 31.0 m-20 -55.19 -45.42 75.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' CYS . 51.1 mtp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.1 t -61.38 145.37 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -93.4 -39.63 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -46.5 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.56 -43.71 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.3 -39.0 2.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -44.27 151.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -74.39 138.27 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.4 mt -87.01 132.55 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.0 mt -131.21 116.0 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.39 -73.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.1 122.99 45.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 t -115.76 119.13 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.65 103.73 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -80.27 117.48 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.75 162.44 41.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.82 28.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.57 42.02 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.0 m-20 -163.36 162.04 24.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.665 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 27.1 p -90.19 145.04 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -148.55 176.45 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.6 m80 -93.25 157.68 38.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -1.42 8.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 15.5 pt-20 -122.91 -32.51 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.91 -60.02 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 8.7 t80 -52.41 93.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.1 mtt85 -124.16 167.8 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -62.59 167.32 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.96 -0.98 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -120.96 -32.86 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -126.12 -4.6 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 27.7 mm-40 52.54 54.87 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.438 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.1 tt0 -105.59 129.02 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 42' ' ' ALA . 67.7 t -43.26 113.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.1 mt -101.7 41.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.18 -61.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.16 -49.41 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.7 pt -56.78 -32.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.462 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 101.79 174.62 28.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -139.1 163.95 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.755 HG11 ' CD2' ' A' ' 59' ' ' HIS . 46.2 t -134.68 101.39 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.93 137.96 20.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -168.55 130.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.8 36.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.5 34.08 88.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -140.81 147.0 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -90.73 117.75 29.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.03 157.24 34.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -94.67 147.46 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.5 mmm180 -35.31 -52.51 1.26 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.4 Cg_exo -48.02 -64.91 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 94.4 m -57.68 -67.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.755 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -36.6 -45.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 52.4 m-20 -59.53 -41.01 89.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 97.5 mtt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.38 145.8 53.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -92.09 -38.24 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -49.3 -70.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -88.72 -46.86 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.87 -36.91 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -42.56 158.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -81.58 130.93 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.8 mt -82.42 131.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mt -131.96 117.22 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.75 -73.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -116.91 118.37 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 15' ' ' ILE . 13.1 t -113.73 119.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -89.46 102.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -79.01 115.71 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.16 160.91 42.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 44.18 26.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 69.03 39.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.1 m-80 -161.47 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.667 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.2 p -90.92 143.75 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -148.07 173.82 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' HG12 ' A' ' 15' ' ' ILE . 27.7 m80 -89.93 157.17 46.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.2 8.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -123.46 -26.51 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 20.8 m -72.23 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -54.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 41.5 mtp180 -127.03 155.34 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' LEU . 24.9 t -45.89 156.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -99.2 12.64 35.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.66 -36.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -121.98 -11.89 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.5 mm-40 62.24 53.71 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -105.8 127.05 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 42' ' ' ALA . 57.9 t -42.03 120.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 44' ' ' ILE . 2.3 mt -112.58 39.33 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -93.17 -34.96 13.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -106.02 -47.63 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.51 HD11 HD23 ' A' ' 41' ' ' LEU . 12.0 pt -69.14 -24.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.05 172.29 41.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -130.84 171.56 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.937 HG11 ' CD2' ' A' ' 59' ' ' HIS . 40.3 t -134.36 103.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -50.64 133.89 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -167.25 114.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.21 44.02 19.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.52 23.19 62.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -126.75 159.72 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 1.5 p-80 -111.13 106.74 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.62 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.443 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.9 p -105.52 149.52 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt180 -38.0 -51.64 3.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.97 -58.23 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.6 m -66.01 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.937 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.9 t60 -39.8 -37.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 31.9 m-20 -68.26 -45.92 71.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.73 144.72 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -92.94 -39.32 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp-100 -46.3 -68.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.47 -43.89 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.88 -37.25 3.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.94 150.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -72.78 138.43 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.9 mt -87.89 131.02 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 mt -130.03 117.31 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -116.73 123.3 46.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.356 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.7 t -116.27 120.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -91.89 103.43 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -77.61 113.59 15.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -151.47 160.57 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.487 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 8.3 mmm 40.37 45.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.487 ' CG ' ' C ' ' A' ' 23' ' ' MET . 0.1 OUTLIER 50.47 45.32 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 58.3 m-80 -168.9 159.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.8 p -87.51 148.19 25.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.7 m95 -149.47 173.53 13.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 24.3 m80 -91.04 157.79 42.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -124.76 -26.71 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.8 m -71.3 -56.83 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.5 t80 -58.31 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 39.9 mtp180 -125.43 165.05 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 41' ' ' LEU . 9.6 t -55.17 168.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.1 -5.18 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.11 -35.92 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.6 p -122.19 -5.08 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 25.3 mm-40 52.75 54.85 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.3 tt0 -104.88 131.18 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 42' ' ' ALA . 85.7 t -42.04 117.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 4.2 mt -106.86 37.52 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -85.07 -57.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -87.33 -55.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 45' ' ' GLY . 36.8 pt -56.12 -30.18 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 88.46 171.53 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -123.72 172.62 8.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.7 t -136.3 106.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' SD ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -51.65 126.51 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 17.8 t-20 -156.33 125.92 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 45.22 36.37 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.77 69.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -139.61 142.3 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -90.69 109.93 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.02 168.76 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.441 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -99.02 149.39 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.7 mmm-85 -35.2 -52.98 1.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -47.99 -65.62 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.4 m -58.09 -65.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.802 ' CD2' HG11 ' A' ' 47' ' ' VAL . 86.0 t60 -36.81 -45.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 20.8 m-20 -57.59 -41.92 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 82.1 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.71 141.0 45.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -91.32 -38.08 12.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.92 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -86.36 -41.23 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.0 -36.06 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.431 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -46.67 152.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -76.79 138.21 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -87.4 129.74 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.6 mt -127.82 107.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.5 -72.74 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 3.1 ttt85 -117.4 119.21 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' HB ' ' A' ' 15' ' ' ILE . 5.7 t -114.31 117.42 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 mm -88.47 106.71 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -82.52 116.29 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.85 167.44 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.6 mtp 39.07 32.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 5.4 m-80 62.57 44.71 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 59.9 m-20 -168.56 163.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.642 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 39.6 p -89.73 146.22 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.8 m95 -149.88 171.02 17.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -88.4 158.43 48.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 0.42 5.69 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -127.63 -27.14 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 52.1 m -71.0 -52.89 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 10.6 t80 -60.01 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.601 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 40.9 mtp180 -123.98 168.08 13.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.5 t -59.04 167.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -106.0 -1.11 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -119.99 -33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -125.55 -5.63 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 29.9 mm-40 54.15 54.05 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.9 tt0 -103.55 130.43 50.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -43.84 114.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.503 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -103.35 43.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.25 -57.21 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.99 -36.75 18.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 pt -78.08 -23.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.65 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 12.1 p90 -124.76 169.5 11.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.98 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.6 t -134.33 100.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -48.09 122.16 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 44.5 t-20 -149.36 130.46 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 36.37 36.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -144.25 140.79 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -83.39 109.74 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.8 mt -118.06 170.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.4 p -102.95 148.06 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.3 mmm-85 -35.32 -52.69 1.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.97 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.373 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.4 m -57.74 -65.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.98 ' CD2' HG11 ' A' ' 47' ' ' VAL . 74.2 t60 -38.41 -37.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.8 m-20 -67.31 -40.8 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' CYS . 24.4 mtm180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -66.7 145.05 55.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -92.18 -39.25 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 56.1 tp60 -45.69 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.84 -44.18 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.01 -35.03 3.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -47.93 151.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.62 138.76 46.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.412 HG21 ' HA ' ' A' ' 19' ' ' VAL . 13.6 mt -87.25 130.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mt -129.99 114.84 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.63 -75.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -116.18 123.24 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HA ' HG21 ' A' ' 15' ' ' ILE . 8.0 t -114.58 120.8 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.51 106.95 18.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -83.01 115.45 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.21 163.09 40.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.8 mmm 40.97 32.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 38.2 m-80 62.37 44.18 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 65.8 m-80 -166.53 161.96 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.7 p -89.68 146.84 24.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.1 m95 -150.44 171.61 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -87.93 157.35 51.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 9.3 pt-20 -123.13 -31.11 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 m -66.87 -63.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.9 t80 -48.03 88.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' CYS . 31.0 mtt85 -120.23 166.43 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.9 t -60.64 158.13 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.41 11.98 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -130.43 -34.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.36 -10.28 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 62.26 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -108.4 131.63 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 42' ' ' ALA . 66.5 t -46.48 114.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -102.88 41.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -94.7 -50.84 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.01 -48.03 7.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.0 pt -67.97 -35.61 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 95.83 161.97 33.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -114.17 172.19 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 59' ' ' HIS . 55.5 t -135.19 109.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.86 116.29 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 45.9 t-20 -149.94 127.51 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.28 36.0 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.57 30.31 76.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.32 141.67 41.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -85.95 107.97 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.6 mt -115.53 168.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 p -101.92 149.64 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.0 mtp180 -35.97 -52.53 1.57 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -48.03 -65.14 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.8 m -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.889 ' CD2' HG11 ' A' ' 47' ' ' VAL . 43.2 t60 -38.16 -47.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 27.5 m-20 -55.29 -41.98 73.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' CYS . 93.8 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.0 t -65.14 143.11 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 26.0 t60 -92.46 -36.24 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp60 -52.23 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -84.81 -43.4 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.23 -33.96 4.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.18 149.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -70.52 133.33 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' OG ' ' A' ' 26' ' ' SER . 12.7 mt -85.88 130.07 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.92 119.61 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.96 -71.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CD ' ' HB3' ' A' ' 29' ' ' PRO . 17.5 ttt85 -118.33 109.09 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.768 HG13 ' OG ' ' A' ' 26' ' ' SER . 3.3 t -106.29 126.46 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -99.44 112.6 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -86.5 120.41 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -160.25 162.66 33.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 mmm 41.89 28.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 66.65 42.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 57.5 m-80 -165.52 159.54 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.768 ' OG ' HG13 ' A' ' 19' ' ' VAL . 42.2 t -89.66 146.21 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -148.65 173.86 12.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.41 156.79 53.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.77 -0.2 6.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.468 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.3 pt-20 -124.38 -32.59 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.6 m -63.97 -62.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 10.3 t80 -50.72 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 34.7 mtt85 -121.76 163.14 19.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.529 ' HA ' HD11 ' A' ' 41' ' ' LEU . 22.4 t -56.57 156.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.7 12.39 35.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' HD22 ' A' ' 54' ' ' LEU . 21.5 mt -131.77 -35.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.01 -9.58 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 60.89 55.03 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 7.5 tt0 -108.2 127.08 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.4 t -41.39 116.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.0 mt -105.01 38.95 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.54 -48.15 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -93.66 -46.77 7.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.454 HD11 HD23 ' A' ' 41' ' ' LEU . 49.0 pt -68.87 -34.05 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 96.12 173.37 35.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -123.41 174.65 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' A' ' 59' ' ' HIS . 59.0 t -138.33 105.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.34 122.7 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -160.08 128.11 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.0 36.66 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.02 73.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -138.57 142.81 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 112.11 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -116.43 165.55 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.4 p -96.55 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -36.28 -52.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' ARG . 65.9 Cg_exo -47.94 -65.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -57.51 -69.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CD2' HG11 ' A' ' 47' ' ' VAL . 47.6 t60 -34.06 -47.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -56.35 -44.96 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' CYS . 98.1 mtt180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.21 142.97 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.356 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -91.04 -36.06 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -51.33 -72.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.65 -47.11 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.18 -36.26 2.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.58 160.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -83.78 133.09 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.453 ' HB ' HG22 ' A' ' 19' ' ' VAL . 12.5 mt -84.39 132.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.02 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.94 -73.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -115.48 115.47 26.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.1 t -112.57 117.98 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.19 104.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -80.3 116.21 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.37 164.5 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 mmm 42.19 32.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 62.16 41.8 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 55.8 m-80 -166.15 163.04 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 18.7 p -88.33 147.97 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.59 171.17 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -88.79 157.74 48.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.49 8.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.0 pt-20 -124.19 -26.52 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.5 m -71.12 -61.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 14.2 t80 -51.15 97.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.9 mtt85 -129.85 169.77 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.9 t -65.26 157.42 29.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -100.02 12.31 37.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 58' ' ' CYS . 13.5 mt -131.03 -35.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.4 -9.14 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 60.06 54.97 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -106.68 128.73 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.7 t -44.76 113.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.5 mt -103.39 39.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.31 -57.91 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.56 -49.6 6.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 41' ' ' LEU . 19.4 pt -59.73 -27.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 91.0 168.06 41.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.447 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -126.14 170.72 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 59' ' ' HIS . 21.9 t -135.19 105.77 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -49.02 140.16 9.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 22.8 t-20 -170.28 113.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.17 40.9 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.08 28.51 73.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -132.99 146.17 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -93.77 109.98 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 2.3 mt -117.04 164.72 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.7 p -101.47 149.82 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 21.9 mtt-85 -37.64 -51.76 2.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.97 -58.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -66.88 -66.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.1 t60 -37.44 -34.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.6 m-20 -70.71 -43.09 69.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.0 ptm180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.06 144.7 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -91.01 -39.84 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.4 tp-100 -47.11 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.59 -46.72 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.01 2.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -43.79 160.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -82.55 133.81 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -84.28 131.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.4 mt -132.43 116.22 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.9 -73.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -115.4 116.38 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 15' ' ' ILE . 6.7 t -110.68 115.24 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -88.48 101.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -78.03 119.51 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.07 161.84 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.61 29.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 44.1 m-20 65.84 42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 68.1 m-80 -164.07 160.58 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.643 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 20.7 p -89.61 144.57 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -147.74 176.75 9.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.4 m80 -94.33 157.21 37.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HG11 ' A' ' 40' ' ' VAL . 53.9 Cg_endo -69.77 -1.61 8.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.29 -20.67 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.4 m -78.58 -57.43 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -54.82 81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 31' ' ' CYS . 49.7 mtm180 -117.06 169.99 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.4 t -58.53 167.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 17.7 t70 -105.03 0.12 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 19.7 mt -121.72 -37.55 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -120.43 -5.08 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 0.9 OUTLIER 54.08 54.59 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 11.3 tt0 -103.81 120.12 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 29' ' ' PRO . 13.2 t -42.16 111.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.02 38.49 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -51.22 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -102.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 32.9 pt -47.22 -20.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 158.36 31.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -120.59 171.43 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.836 HG11 ' CD2' ' A' ' 59' ' ' HIS . 58.8 t -133.29 99.19 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -54.44 122.96 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -157.26 132.86 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.13 35.2 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.32 31.25 79.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -139.05 144.79 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -88.56 113.95 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 4.5 mt -121.61 163.16 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.0 p -100.22 149.43 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.4 mtt85 -36.88 -52.09 2.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.6 Cg_exo -47.93 -63.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 72.9 m -61.11 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.836 ' CD2' HG11 ' A' ' 47' ' ' VAL . 73.9 t60 -40.61 -46.46 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -63.57 -39.61 94.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.1 145.17 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -94.91 -38.52 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 38.6 tp60 -48.15 -68.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -90.4 -44.31 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.77 -38.35 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -43.97 150.52 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -73.74 139.09 45.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -88.75 127.94 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.65 109.12 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.02 -74.82 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -117.06 119.8 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.0 t -114.43 120.59 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -91.59 98.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -77.07 115.47 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.95 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.432 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 6.4 mmm 49.33 29.3 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 21.7 m-20 65.86 32.03 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 1.1 m120 -151.8 158.13 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.645 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 44.7 p -88.3 145.85 25.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -150.93 168.12 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.08 157.46 51.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.3 Cg_endo -69.75 -2.24 9.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.02 -22.16 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' ARG . 34.6 m -76.92 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -54.77 81.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' CYS . 72.6 mtm180 -115.09 175.34 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' H ' ' N ' ' A' ' 39' ' ' GLU . 11.9 t -63.08 167.95 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -105.95 0.58 25.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -122.16 -34.19 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -125.0 -5.22 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.496 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 16.9 mm-40 54.74 53.91 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' N ' ' H ' ' A' ' 34' ' ' CYS . 20.1 tt0 -103.64 118.98 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 14.6 t -39.02 110.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -99.65 39.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.45 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.12 -56.02 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.5 pt -53.54 -32.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.51 168.51 38.53 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -119.2 169.04 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.017 HG11 ' CD2' ' A' ' 59' ' ' HIS . 58.9 t -132.58 101.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -47.68 126.43 10.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.4 t30 -158.7 119.65 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.71 34.63 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.73 71.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -136.46 142.32 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 109.9 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.1 mt -119.4 164.26 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.449 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.1 p -99.34 148.56 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.0 mtt85 -35.08 -52.9 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.823 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.5 Cg_exo -47.91 -59.03 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.3 m -67.06 -62.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 1.017 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.7 t60 -41.62 -28.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -84.16 -33.97 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.5 ptm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 26' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 t -57.52 140.83 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -90.98 -37.86 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 53.6 tp60 -48.62 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -85.93 -39.89 16.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.6 -34.99 4.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -47.98 151.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -75.6 135.22 40.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.0 mt -85.66 135.57 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.4 mt -136.08 113.58 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.05 -69.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -119.49 114.0 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG22 ' HB ' ' A' ' 15' ' ' ILE . 8.6 t -111.11 124.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mm -95.24 105.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -82.54 116.16 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.605 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -155.91 167.85 29.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.2 mtp 40.02 27.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' ALA . 22.1 m-20 67.12 44.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -167.51 164.56 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 57.4 p -90.77 144.43 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -149.4 175.03 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.6 m80 -92.32 158.09 39.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.84 -27.27 3.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 39.9 m -72.09 -53.11 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.605 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 9.3 t80 -60.31 92.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.7 mtp180 -122.8 168.63 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.3 t -60.47 167.85 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 14.7 t70 -106.0 -3.18 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 58' ' ' CYS . 32.2 mt -117.71 -34.58 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -124.54 -5.2 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.9 mm-40 53.29 54.18 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 9.8 tt0 -104.22 130.97 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 42' ' ' ALA . 62.9 t -45.2 114.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.94 37.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.4 -61.35 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.28 -48.45 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.64 -31.44 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.3 162.4 36.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -119.08 171.25 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.752 HG11 ' CD2' ' A' ' 59' ' ' HIS . 45.8 t -135.33 114.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -58.18 123.85 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.43 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.3 t30 -153.39 128.72 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.97 39.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.27 35.62 92.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -142.85 141.78 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -85.1 111.54 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 6.1 mt -119.81 169.38 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.1 p -103.24 148.37 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt-85 -35.06 -53.02 1.14 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.2 Cg_exo -47.98 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 36' ' ' LEU . 73.1 m -59.14 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.752 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -39.67 -44.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -58.38 -43.93 88.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m -151.42 160.0 43.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.816 0.341 . . . . 0.0 110.865 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -127.79 119.03 24.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.11 153.66 4.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m -100.21 -50.86 3.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.6 m -128.64 102.22 6.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.81 150.64 18.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.448 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.37 143.67 57.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -91.95 -37.8 12.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 51.3 tp60 -48.85 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 p -87.05 -43.0 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.92 -37.45 3.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.466 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -45.57 152.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -75.45 138.38 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG21 ' HA ' ' A' ' 19' ' ' VAL . 10.6 mt -85.95 129.33 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -127.77 112.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.8 -73.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 2.6 ttt85 -115.68 121.25 41.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.446 ' HA ' HG21 ' A' ' 15' ' ' ILE . 3.9 t -114.55 114.82 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.456 HD12 ' HB1' ' A' ' 42' ' ' ALA . 15.9 mm -87.33 105.39 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -81.61 119.32 23.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.61 162.5 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.9 mtp 41.69 31.54 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 36.1 m120 63.61 42.87 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 76.8 m-20 -165.45 160.75 18.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.631 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.4 p -89.65 144.59 25.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -147.48 173.06 13.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -89.96 157.43 45.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -2.0 9.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.72 -22.37 4.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.7 m -76.07 -56.94 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 t80 -58.8 86.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 48.0 mtp180 -119.7 166.15 13.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 11.6 t -58.07 164.97 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -103.63 1.44 32.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.1 -33.39 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 p -123.95 -5.6 7.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.488 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.5 mm-40 53.51 50.61 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 13.3 tt0 -100.44 129.81 46.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.6 t -47.57 114.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.14 48.16 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 20' ' ' ILE . . . -96.11 -52.07 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.38 -47.14 6.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 pt -62.46 -26.37 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.18 169.48 34.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -133.64 169.94 16.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.81 HG11 ' CD2' ' A' ' 59' ' ' HIS . 37.2 t -134.54 111.91 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -66.95 120.65 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -152.15 131.71 13.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.9 31.65 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.31 29.71 73.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -135.49 143.21 45.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 113.2 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.76 166.43 16.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.446 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.4 p -100.76 148.33 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 1.4 mmm180 -34.87 -53.02 1.08 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.98 -65.09 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.0 m -60.28 -66.37 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.81 ' CD2' HG11 ' A' ' 47' ' ' VAL . 6.1 t60 -36.47 -46.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 55.2 m-20 -61.28 -40.7 95.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 58' ' ' CYS . 70.4 mtp180 -66.31 -38.44 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.08 -63.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' HD3' ' CE1' ' A' ' 59' ' ' HIS . 15.0 pttt -53.37 -28.66 30.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -37.84 109.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' GLY . 3.1 m -66.7 132.95 49.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -34.68 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.64 26.28 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -92.82 96.75 10.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.7 t -127.46 111.74 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.497 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -62.86 174.63 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.882 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.9 140.05 15.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.41 86.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -68.46 128.01 35.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -130.88 101.12 5.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.54 149.03 18.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 t -63.41 140.88 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -90.47 -38.38 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.21 -70.8 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -87.83 -42.04 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.66 -37.94 3.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.507 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -45.52 152.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -76.85 138.94 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.2 mt -87.41 130.36 37.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.0 mt -129.12 109.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.05 -73.49 0.26 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -117.04 119.05 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.0 t -113.18 118.44 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.0 mm -91.38 109.07 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -83.68 118.38 23.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.96 166.68 32.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.108 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 15.6 mtp 39.9 26.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 52.8 t-20 68.2 44.7 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 67.8 m-20 -168.57 165.73 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.64 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 35.4 p -90.09 145.05 25.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.64 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.47 172.74 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -90.22 157.9 44.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -0.6 7.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -125.02 -26.8 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 37.2 m -73.53 -52.73 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 28.4 t80 -60.72 92.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 38.9 mtp180 -123.99 171.08 10.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.1 t -63.3 168.05 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 31.6 t70 -105.48 -3.77 22.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -118.12 -34.12 4.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -124.87 -4.18 7.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 27.9 mm-40 51.47 53.21 13.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 17.8 tt0 -102.24 128.56 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.29 112.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 32' ' ' PHE . 1.1 mt -103.03 47.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.64 -52.76 3.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -92.19 -39.7 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 41' ' ' LEU . 19.2 pt -73.24 -26.95 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.1 166.45 39.53 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 23.9 p90 -127.28 171.6 11.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.911 HG11 ' CD2' ' A' ' 59' ' ' HIS . 40.1 t -137.12 105.02 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.26 115.39 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -144.78 135.3 24.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.02 34.22 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.49 34.3 84.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -142.24 143.21 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.3 OUTLIER -85.73 108.91 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 6.3 mt -118.03 169.34 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.3 p -102.69 148.7 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 15.3 mtm180 -36.74 -52.01 1.96 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.6 0.714 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -48.02 -60.75 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.6 m -63.83 -67.7 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.911 ' CD2' HG11 ' A' ' 47' ' ' VAL . 79.8 t60 -38.56 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 32.6 m-20 -78.42 -41.77 32.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.3 ptm180 -61.26 -33.01 72.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.82 -67.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ALA . 12.6 ptmm? -48.52 -32.36 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.83 -56.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -102.1 140.45 36.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.66 -175.06 21.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.49 4.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 t -40.38 -53.93 2.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.1 t 62.8 43.55 7.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.488 179.996 . . . . . . . . 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 1.452 -0.272 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.0 t -136.03 142.41 44.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 t -94.55 86.76 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.32 132.39 1.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.44 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -93.61 123.09 36.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -102.31 91.84 4.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 152.68 17.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 t -63.98 143.72 57.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -91.04 -38.52 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 31.6 tp60 -46.73 -70.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -89.31 -44.02 10.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.93 -37.44 3.1 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -46.35 150.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -70.95 138.81 50.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.0 mt -88.03 132.41 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.5 mt -131.29 115.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.54 -76.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -114.73 122.93 47.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -117.41 118.59 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 mm -89.48 105.11 15.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mmtt -80.97 116.96 21.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.02 164.12 39.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.043 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.4 mmm 40.69 32.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 51.7 m-80 62.28 43.85 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -165.91 160.96 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.0 p -89.28 147.8 23.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.3 m95 -150.37 171.02 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -87.5 157.7 52.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.648 0.737 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.27 8.2 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 18.1 pt-20 -124.06 -31.24 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.1 m -65.31 -60.92 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 16.9 t80 -51.33 97.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 33.9 mtt85 -125.66 165.62 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.579 ' HA ' HD11 ' A' ' 41' ' ' LEU . 21.2 t -60.72 159.01 11.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -101.8 13.44 34.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 58' ' ' CYS . 17.5 mt -131.28 -36.16 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.8 p -123.98 -11.52 7.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 64.45 54.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.56 132.53 53.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 ' H ' ' A' ' 42' ' ' ALA . 65.0 t -47.36 115.34 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD11 ' HA ' ' A' ' 34' ' ' CYS . 2.8 mt -104.17 34.04 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.42 -54.1 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.079 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -87.85 -55.43 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' O ' ' NH2' ' A' ' 56' ' ' ARG . 8.3 pt -61.56 -17.46 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.92 177.16 44.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -124.45 170.85 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.808 HG11 ' CD2' ' A' ' 59' ' ' HIS . 39.2 t -133.4 99.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.91 135.49 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -167.71 125.57 1.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.42 39.81 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.94 30.6 77.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -139.52 145.1 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.25 110.69 22.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.8 mt -113.94 171.77 7.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.1 p -102.96 149.74 24.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -35.59 -52.89 1.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.576 0.703 . . . . 0.0 110.881 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -48.02 -61.97 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.65 2.233 . . . . 0.0 112.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -61.66 -66.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.808 ' CD2' HG11 ' A' ' 47' ' ' VAL . 84.7 t60 -39.49 -47.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 65.5 m-20 -61.18 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 58' ' ' CYS . 77.9 mtt180 -65.2 -45.54 84.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.19 -61.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.519 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 4.4 ptmm? -50.39 -37.28 36.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -33.58 120.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t 65.36 41.39 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.42 170.47 28.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -177.06 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.659 2.239 . . . . 0.0 112.311 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.6 p -44.49 131.84 6.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.1 p -146.37 173.77 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.484 -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 -0.306 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p 44.2 41.4 4.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.843 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -88.44 95.64 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.91 57.41 6.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -123.58 154.3 39.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 p -151.47 109.05 3.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.93 142.91 14.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 t -62.78 142.61 58.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -90.12 -39.38 12.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 tp60 -46.46 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.61 -41.92 14.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.15 -37.43 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -45.68 153.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -75.95 136.91 40.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' HB ' HG22 ' A' ' 19' ' ' VAL . 11.8 mt -85.53 133.41 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.1 mt -132.3 115.49 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.81 -72.27 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -117.57 121.25 40.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.347 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.6 t -116.98 118.19 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 mm -89.2 104.59 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -80.95 116.98 21.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -156.54 167.65 29.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.4 mtp 39.98 29.64 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.455 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 80.1 m-20 64.71 44.27 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.2 m-80 -168.67 162.86 12.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.646 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.0 p -89.76 145.08 25.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -148.59 171.8 15.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -88.66 158.12 48.53 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -0.22 6.59 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -125.92 -25.88 3.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 26.4 m -73.08 -54.83 7.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 5.7 t80 -59.01 92.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.599 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.8 mtp180 -124.49 165.47 17.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -56.27 167.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -106.21 -1.71 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 18.4 mt -118.4 -34.19 4.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.2 p -124.99 -6.22 7.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 28.9 mm-40 54.62 54.94 8.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 24.3 tt0 -105.2 131.14 53.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 42' ' ' ALA . 80.3 t -43.62 114.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -102.57 35.2 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -88.31 -59.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -80.67 -47.63 13.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 pt -71.3 -25.42 25.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.18 170.69 47.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -125.1 171.87 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.83 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.9 t -132.5 112.46 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.76 124.54 19.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -157.58 131.98 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 43.91 33.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.67 34.89 88.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.71 140.75 33.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -84.84 110.5 18.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.33 172.64 7.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.442 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.6 p -105.18 148.07 27.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.3 mtp180 -35.75 -52.69 1.47 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.0 Cg_exo -47.93 -65.93 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.0 m -57.16 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.83 ' CD2' HG11 ' A' ' 47' ' ' VAL . 46.5 t60 -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 17.6 m-20 -54.02 -41.61 68.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' CYS . 62.8 mtt180 -62.88 -42.46 99.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.74 -60.74 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.39 -33.61 30.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.71 -58.08 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 t -72.1 148.34 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.14 -177.13 47.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 128.0 15.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.295 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.3 p -48.81 125.63 10.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -92.29 134.62 34.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.983 . . . . . . . . 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 -0.327 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -85.28 -53.86 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 43.51 42.35 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.21 68.93 0.85 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 p -173.47 168.91 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.473 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 23.2 m -100.6 108.82 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.57 20.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -60.64 143.14 54.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -92.09 -36.52 13.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.467 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 20.6 tp60 -49.9 -69.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.9 p -90.82 -46.74 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.44 -35.14 3.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -48.6 151.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CE1' ' O ' ' A' ' 6' ' ' SER . 27.9 t80 -73.14 139.84 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' HG22 ' A' ' 19' ' ' VAL . 9.4 mt -88.33 130.27 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.4 mt -130.14 116.06 35.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.85 -74.85 0.21 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -116.65 120.58 39.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.8 t -113.36 118.85 59.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.6 mm -90.94 102.57 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -79.05 116.26 19.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.68 167.24 30.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.3 mtp 38.78 32.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 7.6 m120 62.12 45.11 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 50.6 m-20 -168.57 162.82 12.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.651 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.9 p -89.4 146.28 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.6 m95 -149.11 172.56 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -89.68 157.9 45.99 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.551 0.691 . . . . 0.0 110.841 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -0.83 7.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.6 pt-20 -124.21 -29.21 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 33' ' ' ARG . 21.2 m -68.81 -61.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 13.1 t80 -47.68 90.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 33.5 mtt85 -121.36 165.88 14.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -61.12 156.58 17.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -99.52 12.31 36.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.8 mt -132.22 -35.4 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -123.75 -8.64 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 58.92 54.95 4.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -108.24 129.28 55.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 42' ' ' ALA . 61.5 t -45.49 111.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.3 OUTLIER -99.62 38.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.97 -55.5 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.43 -52.99 4.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.9 pt -59.09 -25.84 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.01 157.19 28.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' HB3' ' CB ' ' A' ' 41' ' ' LEU . 4.9 p90 -118.33 175.7 5.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.38 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.776 HG11 ' CD2' ' A' ' 59' ' ' HIS . 43.1 t -135.34 120.14 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -67.19 112.82 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -144.74 135.65 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.56 35.89 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.1 36.76 93.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -142.99 140.65 31.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -84.91 110.39 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.9 mt -120.72 175.57 5.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 20.7 p -107.11 147.77 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 17.4 mtm180 -36.06 -52.33 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.98 -59.5 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.5 m -66.83 -68.51 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.776 ' CD2' HG11 ' A' ' 47' ' ' VAL . 28.8 t60 -36.18 -34.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.5 m-20 -69.25 -45.18 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 58' ' ' CYS . 12.3 ptt180 -57.82 -34.0 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.47 -69.01 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -48.9 -29.58 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -33.95 126.91 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 m 53.99 41.61 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.16 145.77 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -17.54 37.31 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.6 p -155.96 130.19 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -47.95 -60.49 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.505 -179.936 . . . . . . . . 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 1.452 -0.293 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -94.0 42.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -134.46 121.79 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.39 -152.18 14.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 p -117.38 -41.99 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.55 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 1.2 t -146.76 128.0 14.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.19 149.5 19.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -66.92 143.41 56.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -91.62 -38.14 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -47.85 -72.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -87.77 -44.18 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.55 -34.28 4.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.28 152.43 1.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.911 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE1' ' O ' ' A' ' 6' ' ' SER . 29.1 t80 -73.5 141.04 46.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.428 HG21 ' HA ' ' A' ' 19' ' ' VAL . 12.7 mt -89.19 128.52 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -127.47 113.23 30.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 112.1 -74.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -116.03 122.38 45.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 15' ' ' ILE . 4.3 t -114.53 116.27 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -88.53 109.5 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.56 118.48 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -156.03 162.3 40.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.4 mtp 42.99 27.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.0 m120 67.92 41.2 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 75.7 m-20 -163.12 161.07 24.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.657 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 97.6 p -90.02 144.96 25.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.657 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.2 m95 -148.02 172.26 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.71 157.27 52.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -1.18 8.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.383 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 4.7 pt-20 -123.89 -28.79 3.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 18.5 m -68.07 -62.06 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -49.76 91.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 31.4 mtt85 -120.08 167.65 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.8 t -63.77 158.29 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -101.05 11.57 39.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -131.3 -34.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.4 p -124.83 -9.26 7.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 59.22 54.83 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -108.55 129.89 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.2 t -46.89 113.79 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 44' ' ' ILE . 3.1 mt -103.51 45.27 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.91 -50.16 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.25 -50.21 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 41' ' ' LEU . 45.0 pt -58.27 -28.89 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.34 171.36 30.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -135.56 167.75 20.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.981 HG11 ' CD2' ' A' ' 59' ' ' HIS . 42.0 t -134.53 107.22 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -61.18 118.81 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -148.41 132.1 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 47.56 32.56 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.32 30.21 71.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -136.09 148.62 48.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.801 0.334 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.453 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.38 112.55 24.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.3 mt -121.47 166.84 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -101.21 149.34 24.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.1 mtt180 -37.46 -51.7 2.54 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.96 -63.25 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.298 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' ARG . 74.9 m -60.2 -64.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.981 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.3 t60 -40.95 -42.48 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 38.4 m-20 -63.06 -40.14 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' CYS . 38.0 mtt-85 -63.76 -38.48 91.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -71.01 -66.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.448 ' HE2' ' NE2' ' A' ' 59' ' ' HIS . 9.0 ptpt -50.19 -32.66 16.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -38.81 119.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t 68.3 40.18 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.25 -172.24 20.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.63 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.716 2.278 . . . . 0.0 112.3 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -113.75 97.39 6.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.9 t -105.9 -57.55 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.483 179.967 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -129.54 85.54 2.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 p -55.09 111.49 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.22 77.01 0.27 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -102.64 115.44 30.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.0 m -89.26 105.56 17.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.52 148.59 19.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.9 t -58.69 143.88 45.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.63 -35.37 14.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 41.3 tp60 -52.72 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -88.13 -47.18 8.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.86 -36.6 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -44.01 159.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -81.6 132.46 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' HB ' HG22 ' A' ' 19' ' ' VAL . 13.3 mt -83.77 130.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.47 115.87 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.76 -71.19 0.21 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 6.9 ttt180 -118.31 119.84 35.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.446 HG22 ' HB ' ' A' ' 15' ' ' ILE . 7.3 t -115.8 116.86 53.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -88.06 103.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -80.25 117.3 20.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.12 162.4 41.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.8 mmm 43.02 28.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 66.04 41.21 3.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 61.4 m-80 -162.77 161.53 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 24.0 p -89.74 146.69 24.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.9 m95 -149.8 171.32 16.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.409 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.5 m80 -88.19 157.99 50.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.599 0.714 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.381 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 7.9 pt-20 -123.86 -33.61 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 21.4 m -63.02 -61.54 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.584 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 18.2 t80 -49.35 91.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.459 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.1 mtt85 -122.31 165.19 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 41' ' ' LEU . 15.1 t -58.55 164.26 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.62 9.25 33.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.81 -35.1 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.1 p -124.32 -7.95 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 59.24 54.99 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.2 tt0 -108.7 128.05 54.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG12 ' H ' ' A' ' 42' ' ' ALA . 68.2 t -41.91 115.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.638 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.4 mt -104.47 34.97 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -80.72 -54.47 5.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.7 -52.43 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.613 HD11 HD23 ' A' ' 41' ' ' LEU . 11.4 pt -58.63 -20.67 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.68 160.83 14.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -111.63 167.84 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.032 HG11 ' CD2' ' A' ' 59' ' ' HIS . 56.7 t -132.85 106.43 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -48.63 135.74 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -169.19 119.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.65 33.88 14.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.38 27.31 71.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -136.32 146.52 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -94.17 111.22 22.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mt -114.52 172.12 7.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.1 p -101.56 149.54 24.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.4 mmm-85 -35.92 -52.57 1.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.627 0.727 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.7 Cg_exo -47.94 -59.86 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 2.275 . . . . 0.0 112.302 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 77.3 m -63.75 -69.17 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 1.032 ' CD2' HG11 ' A' ' 47' ' ' VAL . 86.1 t60 -35.25 -42.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 68.9 m-20 -64.1 -44.86 91.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 37.3 mtt-85 -59.88 -45.52 92.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.18 -62.46 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 11.6 ptmm? -54.0 -39.21 65.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -48.69 -59.78 3.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.9 t -48.31 108.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.78 165.73 11.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -14.56 36.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.636 2.224 . . . . 0.0 112.399 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 m -138.39 139.81 39.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.9 p -166.84 114.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.481 -179.972 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -79.22 -55.58 4.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 m -139.63 154.92 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -167.73 1.84 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -110.4 134.43 52.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -115.64 99.23 7.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.96 147.27 17.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -55.04 144.7 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -92.59 -34.83 13.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 17.7 tp60 -53.95 -68.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.1 p -91.1 -47.74 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.55 -37.11 2.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -43.65 156.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.887 0.375 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -78.56 132.94 37.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.4 mt -82.91 132.95 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.7 mt -133.89 118.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.34 -74.67 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -116.93 117.8 30.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.4 t -111.08 119.64 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -90.9 101.36 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -78.54 115.6 18.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.81 163.22 40.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.1 mtp 42.09 30.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 64.96 41.65 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.1 m-80 -163.91 161.49 22.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.1 p -90.44 144.25 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -147.46 171.48 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -87.49 157.0 53.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -1.54 8.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 8.8 pt-20 -122.05 -34.2 3.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.4 m -63.19 -60.04 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.472 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 7.3 t80 -52.23 92.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.8 mtt85 -122.9 166.22 15.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB3' ' N ' ' A' ' 38' ' ' GLN . 12.8 t -60.93 166.85 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -106.04 0.67 25.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -123.17 -32.88 3.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.3 p -125.66 -4.71 7.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 26.7 mm-40 52.54 54.12 11.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 6.5 tt0 -104.51 129.54 52.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.444 HG12 ' H ' ' A' ' 42' ' ' ALA . 75.5 t -43.82 112.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.7 mt -100.85 40.77 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.74 -55.9 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.6 -51.58 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 45' ' ' GLY . 46.3 pt -57.76 -32.41 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 102.37 176.32 27.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -139.2 166.88 23.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.853 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.005 HG11 ' CD2' ' A' ' 59' ' ' HIS . 61.0 t -138.14 106.2 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -54.3 135.61 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -164.99 126.94 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.48 34.93 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.23 32.78 76.7 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -139.64 145.93 39.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -89.17 116.57 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.0 mt -123.5 157.04 34.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 25.0 p -94.24 149.75 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.495 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.7 mtt180 -36.24 -52.29 1.71 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.622 0.725 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.4 Cg_exo -47.97 -62.75 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.4 m -60.99 -69.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 1.005 ' CD2' HG11 ' A' ' 47' ' ' VAL . 80.0 t60 -36.03 -40.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.656 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 59.6 m-20 -68.79 -43.28 76.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 58' ' ' CYS . 67.1 mtt-85 -59.51 -42.8 93.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.99 -65.17 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 13.1 ptmt -50.83 -37.03 40.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -35.62 120.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -81.56 141.35 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.22 -179.23 25.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 2.44 3.56 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 t -128.04 121.49 29.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.4 p -48.5 150.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.496 -179.979 . . . . . . . . 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 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -66.68 127.61 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 0.0 110.838 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -73.46 82.08 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.8 -108.87 0.33 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m 52.07 40.09 27.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 110.897 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.0 m -107.11 99.78 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.01 154.85 16.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 t -65.96 143.93 57.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -91.87 -38.9 12.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -46.22 -68.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.0 p -92.23 -44.04 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.34 -37.35 2.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.51 150.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -72.79 139.92 47.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' HB ' HG22 ' A' ' 19' ' ' VAL . 6.3 mt -89.21 130.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 mt -128.53 118.47 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.47 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -117.22 119.77 36.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.46 HG22 ' HB ' ' A' ' 15' ' ' ILE . 9.2 t -112.6 117.94 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -89.81 104.01 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -79.91 115.77 19.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.57 163.73 39.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.1 mtp 41.3 31.79 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m120 63.21 43.05 6.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 56.5 m-80 -166.13 161.67 17.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.669 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 32.5 p -89.4 146.31 24.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.669 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -149.09 174.18 12.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' CD2' HG23 ' A' ' 15' ' ' ILE . 25.6 m80 -90.47 156.68 45.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.589 0.709 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.405 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.4 Cg_endo -69.75 -2.07 9.53 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.54 -23.93 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 23.6 m -73.67 -59.74 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -53.36 82.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 31' ' ' CYS . 62.5 mtm180 -116.97 174.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 41' ' ' LEU . 10.2 t -63.19 168.68 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -105.24 -4.31 21.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.5 mt -118.39 -34.47 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.7 p -124.24 -1.85 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 14.4 mm-40 48.68 55.01 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' N ' ' H ' ' A' ' 34' ' ' CYS . 18.0 tt0 -103.53 119.9 39.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG23 ' H ' ' A' ' 40' ' ' VAL . 21.1 t -39.64 110.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD11 ' HA ' ' A' ' 34' ' ' CYS . 1.2 mt -101.94 38.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.49 -54.6 5.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.04 -57.28 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.498 HD11 HD23 ' A' ' 41' ' ' LEU . 31.6 pt -47.37 -29.17 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.19 166.3 30.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -133.45 164.05 27.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.919 0.39 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.655 HG11 ' CD2' ' A' ' 59' ' ' HIS . 46.9 t -129.86 100.18 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.02 134.31 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -163.58 130.64 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.36 37.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.78 33.54 86.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.85 147.68 39.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.846 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.446 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -91.01 117.74 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.89 158.01 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 22.0 p -97.7 149.3 22.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 6.7 mtm180 -36.75 -52.04 1.96 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 63.7 Cg_exo -47.91 -62.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -61.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.655 ' CD2' HG11 ' A' ' 47' ' ' VAL . 84.5 t60 -38.4 -46.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 66.5 m-20 -61.33 -39.77 91.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 58' ' ' CYS . 55.1 mtp180 -63.12 -37.17 86.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.2 -67.58 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 7.5 ptmm? -48.68 -30.86 5.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -38.18 123.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -84.29 78.1 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.66 173.72 25.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.8 Cg_endo -69.83 2.62 3.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.641 2.227 . . . . 0.0 112.322 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 67' ' ' PRO . 40.4 t -37.97 -53.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -39.62 -46.56 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.519 -179.97 . . . . . . . . 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 -0.302 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -81.72 125.37 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.933 0.397 . . . . 0.0 110.833 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -78.56 -48.82 14.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.07 162.04 27.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -118.39 -51.97 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.381 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -126.74 88.57 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.12 148.06 18.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 t -59.63 142.5 52.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -91.51 -38.83 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.2 tp-100 -47.19 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.2 p -87.87 -42.24 12.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.66 -38.19 3.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -45.2 152.04 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -74.07 139.82 44.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 mt -88.92 132.73 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 mt -132.16 111.03 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.12 -74.37 0.24 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -116.52 121.97 43.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 t -116.71 120.38 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.1 mm -92.11 104.99 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -79.88 115.55 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -152.56 166.2 32.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 38.98 32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 9.1 m120 62.97 44.88 5.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' ALA . 63.5 m-20 -167.67 163.94 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 80.2 p -89.87 146.71 24.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.54 172.41 15.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -89.73 157.91 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -1.71 8.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.368 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -123.97 -24.84 4.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 33' ' ' ARG . 30.3 m -74.78 -58.89 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 32.8 t80 -52.49 83.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 62.1 mtm180 -117.27 170.48 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 41' ' ' LEU . 11.7 t -59.01 167.77 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -105.42 -1.64 24.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.5 mt -120.16 -33.94 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.4 p -125.32 -2.03 7.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 10.5 mm-40 50.22 55.0 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 28.1 tt0 -104.89 119.15 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 40' ' ' VAL . 20.3 t -37.99 111.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.11 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 55' ' ' CYS . 0.3 OUTLIER -101.79 39.49 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.73 -51.45 8.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.11 -53.79 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.6 pt -60.74 -14.82 10.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 173.92 36.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -125.58 171.2 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.909 HG11 ' CD2' ' A' ' 59' ' ' HIS . 59.6 t -131.23 97.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.25 121.45 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -154.12 134.24 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.11 28.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.42 36.22 63.03 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -143.98 139.34 29.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.608 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -82.14 110.2 17.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mt -118.54 167.16 11.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 41' ' ' LEU . 21.4 p -101.31 149.02 24.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 8.9 mmt180 -37.02 -51.88 2.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.0 Cg_exo -48.01 -65.45 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.9 m -58.0 -69.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.909 ' CD2' HG11 ' A' ' 47' ' ' VAL . 39.9 t60 -35.66 -47.42 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 31.0 m-20 -55.19 -45.42 75.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' CYS . 51.1 mtp180 -56.41 -45.43 80.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.56 -64.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -48.17 -30.04 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -38.2 -58.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -99.26 136.63 38.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.28 153.73 21.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 115.2 3.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -134.83 123.2 23.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -45.38 102.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.482 179.995 . . . . . . . . 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 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -156.81 130.52 8.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.371 . . . . 0.0 110.815 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -100.24 128.25 46.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.34 62.07 0.29 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -150.65 114.07 4.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 p -89.93 104.98 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.45 143.72 16.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.1 t -61.38 145.37 51.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -93.4 -39.63 10.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -46.5 -66.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.56 -43.71 8.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.3 -39.0 2.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -44.27 151.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -74.39 138.27 43.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 28' ' ' HIS . 17.4 mt -87.01 132.55 32.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.0 mt -131.21 116.0 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.39 -73.32 0.2 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -117.1 122.99 45.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.39 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 t -115.76 119.13 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -91.65 103.73 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -80.27 117.48 21.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.75 162.44 41.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.051 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.82 28.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 m120 66.57 42.02 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.0 m-20 -163.36 162.04 24.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.665 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 27.1 p -90.19 145.04 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.665 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -148.55 176.45 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.6 m80 -93.25 157.68 38.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -1.42 8.37 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.278 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 15.5 pt-20 -122.91 -32.51 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.91 -60.02 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 8.7 t80 -52.41 93.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 30.1 mtt85 -124.16 167.8 13.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.2 t -62.59 167.32 4.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -105.96 -0.98 24.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mt -120.96 -32.86 3.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -126.12 -4.6 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 27.7 mm-40 52.54 54.87 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.438 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 8.1 tt0 -105.59 129.02 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 42' ' ' ALA . 67.7 t -43.26 113.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 1.1 mt -101.7 41.48 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.18 -61.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.16 -49.41 7.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.7 pt -56.78 -32.5 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 101.79 174.62 28.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -139.1 163.95 31.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.755 HG11 ' CD2' ' A' ' 59' ' ' HIS . 46.2 t -134.68 101.39 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.93 137.96 20.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -168.55 130.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 44.8 36.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.5 34.08 88.17 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -140.81 147.0 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -90.73 117.75 29.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.03 157.24 34.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -94.67 147.46 23.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 4.5 mmm180 -35.31 -52.51 1.26 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.4 Cg_exo -48.02 -64.91 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 94.4 m -57.68 -67.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.755 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -36.6 -45.89 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 52.4 m-20 -59.53 -41.01 89.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 97.5 mtt180 -63.27 -35.68 81.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -72.91 -65.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 10.1 ptmm? -52.55 -32.13 39.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -45.91 105.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.107 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 t -76.17 -65.26 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.98 164.88 36.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.74 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.252 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.1 p -124.32 175.19 7.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 151.7 29.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.451 -179.975 . . . . . . . . 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 1.452 -0.268 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -99.49 125.62 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -85.91 133.92 33.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.48 -92.75 0.54 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -59.49 138.42 57.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.499 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 21.8 p -127.38 108.98 11.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 148.57 18.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.505 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.38 145.8 53.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -92.09 -38.24 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -49.3 -70.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -88.72 -46.86 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.87 -36.91 2.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -42.56 158.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 6' ' ' SER . 12.2 t80 -81.58 130.93 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 28' ' ' HIS . 16.8 mt -82.42 131.22 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.4 mt -131.96 117.22 32.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.75 -73.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -116.91 118.37 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 15' ' ' ILE . 13.1 t -113.73 119.41 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.2 mm -89.46 102.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -79.01 115.71 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -153.16 160.91 42.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.9 mtp 44.18 26.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 69.03 39.81 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 69.1 m-80 -161.47 161.6 30.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.667 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.2 p -90.92 143.75 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -148.07 173.82 12.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.505 ' CD2' HG12 ' A' ' 15' ' ' ILE . 27.7 m80 -89.93 157.17 46.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -1.2 8.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.595 2.197 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -123.46 -26.51 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 20.8 m -72.23 -58.15 3.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -54.81 88.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.492 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 41.5 mtp180 -127.03 155.34 43.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' LEU . 24.9 t -45.89 156.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -99.2 12.64 35.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 mt -130.66 -36.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -121.98 -11.89 8.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.5 mm-40 62.24 53.71 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -105.8 127.05 52.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG12 ' H ' ' A' ' 42' ' ' ALA . 57.9 t -42.03 120.3 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 HD11 ' A' ' 44' ' ' ILE . 2.3 mt -112.58 39.33 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -93.17 -34.96 13.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -106.02 -47.63 3.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.51 HD11 HD23 ' A' ' 41' ' ' LEU . 12.0 pt -69.14 -24.38 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 92.05 172.29 41.95 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -130.84 171.56 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.937 HG11 ' CD2' ' A' ' 59' ' ' HIS . 40.3 t -134.36 103.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -50.64 133.89 25.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -167.25 114.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.21 44.02 19.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 61.52 23.19 62.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.2 mtt-85 -126.75 159.72 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 53' ' ' HIS . 1.5 p-80 -111.13 106.74 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.62 174.22 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.443 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.9 p -105.52 149.52 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt180 -38.0 -51.64 3.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -47.97 -58.23 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 87.6 m -66.01 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.937 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.9 t60 -39.8 -37.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 31.9 m-20 -68.26 -45.92 71.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 -58.43 -44.1 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -70.19 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ALA . 3.0 ptmm? -51.32 -36.39 42.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' LYS . . . -35.34 -52.72 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.1 m -68.97 145.91 53.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.5 -172.09 39.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 178.59 4.44 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.649 2.233 . . . . 0.0 112.355 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.2 t -58.48 109.3 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 63.8 p -127.11 106.98 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.483 179.998 . . . . . . . . 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 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t 58.4 42.25 21.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 p -99.32 111.66 23.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.28 132.55 3.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.473 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -74.06 -44.72 53.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -113.85 32.83 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.1 152.18 32.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 t -66.73 144.72 56.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -92.94 -39.32 11.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp-100 -46.3 -68.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.47 -43.89 9.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.88 -37.25 3.17 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.94 150.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -72.78 138.43 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 28' ' ' HIS . 18.9 mt -87.89 131.02 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 mt -130.03 117.31 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.57 -74.63 0.21 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -116.73 123.3 46.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.356 . . . . 0.0 110.812 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.7 t -116.27 120.06 63.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -91.89 103.43 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -77.61 113.59 15.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -151.47 160.57 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.487 ' C ' ' CG ' ' A' ' 24' ' ' ASN . 8.3 mmm 40.37 45.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.487 ' CG ' ' C ' ' A' ' 23' ' ' MET . 0.1 OUTLIER 50.47 45.32 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 58.3 m-80 -168.9 159.4 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.647 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 21.8 p -87.51 148.19 25.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.647 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.7 m95 -149.47 173.53 13.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' HG12 ' A' ' 15' ' ' ILE . 24.3 m80 -91.04 157.79 42.55 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.66 0.743 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -124.76 -26.71 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.8 m -71.3 -56.83 5.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.5 t80 -58.31 92.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 38' ' ' GLN . 39.9 mtp180 -125.43 165.05 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HA ' HD11 ' A' ' 41' ' ' LEU . 9.6 t -55.17 168.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.1 -5.18 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.11 -35.92 4.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.6 p -122.19 -5.08 8.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 25.3 mm-40 52.75 54.85 9.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.3 tt0 -104.88 131.18 52.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' ' 42' ' ' ALA . 85.7 t -42.04 117.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 4.2 mt -106.86 37.52 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -85.07 -57.87 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -87.33 -55.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 45' ' ' GLY . 36.8 pt -56.12 -30.18 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 88.46 171.53 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -123.72 172.62 8.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.802 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.7 t -136.3 106.73 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD3' ' SD ' ' A' ' 23' ' ' MET . 0.1 OUTLIER -51.65 126.51 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 49' ' ' ASN . 17.8 t-20 -156.33 125.92 6.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 45.22 36.37 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.11 30.77 69.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -139.61 142.3 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 53' ' ' HIS . 0.2 OUTLIER -90.69 109.93 21.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.02 168.76 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.3 p -99.02 149.39 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.7 mmm-85 -35.2 -52.98 1.21 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.6 Cg_exo -47.99 -65.62 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.4 m -58.09 -65.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.802 ' CD2' HG11 ' A' ' 47' ' ' VAL . 86.0 t60 -36.81 -45.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 20.8 m-20 -57.59 -41.92 82.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 58' ' ' CYS . 82.1 mtt180 -66.12 -42.28 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.6 -57.73 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 6.5 ptpp? -58.43 -31.34 67.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -64.71 -53.67 43.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ALA . 4.5 m -36.52 -51.56 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.97 164.23 32.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.84 104.25 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 m -76.1 176.91 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.5 m -134.45 143.43 47.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.476 -179.992 . . . . . . . . 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 -0.35 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -43.81 128.59 5.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -139.74 136.94 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.32 52.37 0.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.436 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -140.35 110.27 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.853 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m -89.63 105.58 17.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.75 14.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -56.71 141.0 45.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -91.32 -38.08 12.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 tp-100 -47.92 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -86.36 -41.23 14.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.0 -36.06 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.431 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -46.67 152.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.944 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -76.79 138.21 39.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -87.4 129.74 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.6 mt -127.82 107.36 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.5 -72.74 0.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' CG2' ' A' ' 15' ' ' ILE . 3.1 ttt85 -117.4 119.21 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG22 ' HB ' ' A' ' 15' ' ' ILE . 5.7 t -114.31 117.42 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.0 mm -88.47 106.71 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 mmtp -82.52 116.29 21.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.85 167.44 30.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.073 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.6 mtp 39.07 32.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 5.4 m-80 62.57 44.71 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 59.9 m-20 -168.56 163.6 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.642 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 39.6 p -89.73 146.22 24.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.8 m95 -149.88 171.02 17.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -88.4 158.43 48.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.603 0.716 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 0.42 5.69 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -127.63 -27.14 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 52.1 m -71.0 -52.89 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.551 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 10.6 t80 -60.01 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.601 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 40.9 mtp180 -123.98 168.08 13.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.5 t -59.04 167.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -106.0 -1.11 24.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.7 mt -119.99 -33.44 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.3 p -125.55 -5.63 7.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.503 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 29.9 mm-40 54.15 54.05 10.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 15.9 tt0 -103.55 130.43 50.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.7 t -43.84 114.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD11 ' C ' ' A' ' 33' ' ' ARG . 0.3 OUTLIER -103.35 43.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -94.25 -57.21 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -86.99 -36.75 18.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 pt -78.08 -23.58 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.65 48.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.403 ' CD1' ' HE2' ' A' ' 32' ' ' PHE . 12.1 p90 -124.76 169.5 11.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.98 HG11 ' CD2' ' A' ' 59' ' ' HIS . 48.6 t -134.33 100.72 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mmmt -48.09 122.16 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 44.5 t-20 -149.36 130.46 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.89 36.37 36.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -144.25 140.79 29.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.601 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -83.39 109.74 17.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.8 mt -118.06 170.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.45 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.4 p -102.95 148.06 26.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.3 mmm-85 -35.32 -52.69 1.27 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.4 Cg_exo -47.97 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.643 2.228 . . . . 0.0 112.373 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ARG . 75.4 m -57.74 -65.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.98 ' CD2' HG11 ' A' ' 47' ' ' VAL . 74.2 t60 -38.41 -37.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.805 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.605 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 24.8 m-20 -67.31 -40.8 86.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 58' ' ' CYS . 24.4 mtm180 -57.21 -43.79 83.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -70.09 -67.54 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.7 ptmm? -50.07 -35.94 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -33.79 -64.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -81.93 155.71 25.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 67' ' ' PRO . . . 169.35 -133.97 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.5 Cg_endo -69.81 10.84 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.493 ' C ' ' O ' ' A' ' 67' ' ' PRO . 37.2 m -31.02 130.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.7 m -118.58 167.47 11.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.218 -0.768 . . . . 0.0 112.448 179.976 . . . . . . . . 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 -0.3 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p -60.52 153.22 23.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 m -123.81 84.61 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.81 163.43 22.46 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -144.28 131.73 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.86 125.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.88 151.7 19.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 t -66.7 145.05 55.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -92.18 -39.25 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 56.1 tp60 -45.69 -68.0 0.23 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -91.84 -44.18 9.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.01 -35.03 3.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -47.93 151.88 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -72.62 138.76 46.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG21 ' HA ' ' A' ' 19' ' ' VAL . 13.6 mt -87.25 130.44 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.9 mt -129.99 114.84 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.63 -75.65 0.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -116.18 123.24 47.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' HA ' HG21 ' A' ' 15' ' ' ILE . 8.0 t -114.58 120.8 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -91.51 106.95 18.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -83.01 115.45 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.95 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -154.21 163.09 40.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 9.8 mmm 40.97 32.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 38.2 m-80 62.37 44.18 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 65.8 m-80 -166.53 161.96 16.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.661 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 23.7 p -89.68 146.84 24.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.661 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.1 m95 -150.44 171.61 16.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -87.93 157.35 51.64 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -0.95 7.69 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 9.3 pt-20 -123.13 -31.11 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 33' ' ' ARG . 14.2 m -66.87 -63.8 0.99 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.9 t80 -48.03 88.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' CYS . 31.0 mtt85 -120.23 166.43 13.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.9 t -60.64 158.13 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -101.41 11.98 38.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.8 mt -130.43 -34.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.36 -10.28 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 62.26 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -108.4 131.63 54.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG12 ' H ' ' A' ' 42' ' ' ALA . 66.5 t -46.48 114.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -102.88 41.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.971 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.435 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -94.7 -50.84 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.01 -48.03 7.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 45' ' ' GLY . 39.0 pt -67.97 -35.61 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 95.83 161.97 33.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -114.17 172.19 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 59' ' ' HIS . 55.5 t -135.19 109.98 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.86 116.29 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.447 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 45.9 t-20 -149.94 127.51 11.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.28 36.0 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.57 30.31 76.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.32 141.67 41.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -85.95 107.97 17.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.6 mt -115.53 168.37 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 23.2 p -101.92 149.64 24.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 6.0 mtp180 -35.97 -52.53 1.57 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.573 0.701 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.8 Cg_exo -48.03 -65.14 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.369 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ARG . 73.8 m -58.69 -67.46 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.889 ' CD2' HG11 ' A' ' 47' ' ' VAL . 43.2 t60 -38.16 -47.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 27.5 m-20 -55.29 -41.98 73.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' CYS . 93.8 mtt180 -60.49 -43.5 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.53 -61.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.06 -36.27 39.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -35.56 100.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -103.37 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.75 155.36 15.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 0.48 5.62 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.8 t -68.89 103.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.2 m 55.8 47.63 19.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -86.79 101.39 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.814 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -123.45 112.8 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.49 143.57 11.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.1 m -104.98 -179.88 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.886 0.374 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 63.2 m -115.56 97.18 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.849 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.31 155.37 19.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.0 t -65.14 143.11 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.508 ' HB3' ' CH2' ' A' ' 27' ' ' TRP . 26.0 t60 -92.46 -36.24 13.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 3.7 tp60 -52.23 -73.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -84.81 -43.4 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.23 -33.96 4.64 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -48.18 149.87 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CE1' ' O ' ' A' ' 6' ' ' SER . 31.5 t80 -70.52 133.33 46.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.675 HD12 ' OG ' ' A' ' 26' ' ' SER . 12.7 mt -85.88 130.07 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.3 mt -134.92 119.61 28.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.96 -71.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CD ' ' HB3' ' A' ' 29' ' ' PRO . 17.5 ttt85 -118.33 109.09 15.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.768 HG13 ' OG ' ' A' ' 26' ' ' SER . 3.3 t -106.29 126.46 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -99.44 112.6 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -86.5 120.41 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -160.25 162.66 33.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 8.8 mmm 41.89 28.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 66.65 42.15 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 57.5 m-80 -165.52 159.54 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.768 ' OG ' HG13 ' A' ' 19' ' ' VAL . 42.2 t -89.66 146.21 24.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.666 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -148.65 173.86 12.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -87.41 156.79 53.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.593 0.711 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.77 -0.2 6.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.3 pt-20 -124.38 -32.59 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 18.6 m -63.97 -62.98 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 10.3 t80 -50.72 94.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 34.7 mtt85 -121.76 163.14 19.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.529 ' HA ' HD11 ' A' ' 41' ' ' LEU . 22.4 t -56.57 156.01 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -98.7 12.39 35.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' CD1' HD22 ' A' ' 54' ' ' LEU . 21.5 mt -131.77 -35.71 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -124.01 -9.58 7.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 60.89 55.03 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 7.5 tt0 -108.2 127.08 53.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.4 t -41.39 116.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.0 mt -105.01 38.95 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -90.54 -48.15 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -93.66 -46.77 7.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.454 HD11 HD23 ' A' ' 41' ' ' LEU . 49.0 pt -68.87 -34.05 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 96.12 173.37 35.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -123.41 174.65 7.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.474 HG11 ' CD2' ' A' ' 59' ' ' HIS . 59.0 t -138.33 105.78 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.34 122.7 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -160.08 128.11 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 48.0 36.66 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.38 28.02 73.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -138.57 142.81 39.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.33 112.11 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -116.43 165.55 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 24.4 p -96.55 149.71 21.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' HB2' ' HD3' ' A' ' 57' ' ' PRO . 0.0 OUTLIER -36.28 -52.39 1.72 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.579 0.704 . . . . 0.0 110.882 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD3' ' HB2' ' A' ' 56' ' ' ARG . 65.9 Cg_exo -47.94 -65.46 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 61' ' ' ARG . 71.8 m -57.51 -69.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.474 ' CD2' HG11 ' A' ' 47' ' ' VAL . 47.6 t60 -34.06 -47.76 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' HA ' ' CG ' ' A' ' 63' ' ' LYS . 24.7 m-20 -56.35 -44.96 80.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' CYS . 98.1 mtt180 -56.02 -43.46 77.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.75 -63.14 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -51.83 -34.31 39.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 60' ' ' ASN . . . -35.96 128.27 0.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.8 m 51.76 42.46 29.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -81.53 176.77 54.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.0 t -121.3 104.0 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.1 m -77.75 83.27 4.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.544 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -108.28 110.99 22.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -82.98 43.39 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.69 -148.26 17.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -120.25 -51.2 2.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.585 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 23.5 m -106.21 113.5 27.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.25 146.66 18.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -58.21 142.97 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.356 . . . . 0.0 110.892 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -91.04 -36.06 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 44.7 tp60 -51.33 -72.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -86.65 -47.11 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.18 -36.26 2.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.58 160.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CE1' ' O ' ' A' ' 6' ' ' SER . 9.8 t80 -83.78 133.09 34.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.453 ' HB ' HG22 ' A' ' 19' ' ' VAL . 12.5 mt -84.39 132.15 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -133.02 116.48 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.94 -73.75 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ttt85 -115.48 115.47 26.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.36 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.1 t -112.57 117.98 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mm -89.19 104.88 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -80.3 116.21 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.37 164.5 38.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 23.1 mmm 42.19 32.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 62.16 41.8 10.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 55.8 m-80 -166.15 163.04 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.649 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 18.7 p -88.33 147.97 24.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' C ' ' A' ' 26' ' ' SER . 2.0 m95 -150.59 171.17 17.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.402 ' CD2' HG12 ' A' ' 15' ' ' ILE . 23.3 m80 -88.79 157.74 48.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.49 8.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' O ' ' NH1' ' A' ' 33' ' ' ARG . 10.0 pt-20 -124.19 -26.52 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 22.5 m -71.12 -61.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.5 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 14.2 t80 -51.15 97.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 32.9 mtt85 -129.85 169.77 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.576 ' HA ' HD11 ' A' ' 41' ' ' LEU . 19.9 t -65.26 157.42 29.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -100.02 12.31 37.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HB3' ' A' ' 58' ' ' CYS . 13.5 mt -131.03 -35.34 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.1 p -125.4 -9.14 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 60.06 54.97 3.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -106.68 128.73 54.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 42' ' ' ALA . 63.7 t -44.76 113.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 34' ' ' CYS . 3.5 mt -103.39 39.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -86.31 -57.91 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.56 -49.6 6.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.572 HD11 HD23 ' A' ' 41' ' ' LEU . 19.4 pt -59.73 -27.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 44' ' ' ILE . . . 91.0 168.06 41.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.447 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -126.14 170.72 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.511 HG11 ' CD2' ' A' ' 59' ' ' HIS . 21.9 t -135.19 105.77 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -49.02 140.16 9.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.439 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 22.8 t-20 -170.28 113.88 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.17 40.9 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.08 28.51 73.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.547 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -132.99 146.17 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -93.77 109.98 21.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 2.3 mt -117.04 164.72 14.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.7 p -101.47 149.82 23.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 21.9 mtt-85 -37.64 -51.76 2.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.482 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.5 Cg_exo -47.97 -58.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' ARG . 70.7 m -66.88 -66.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.511 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.1 t60 -37.44 -34.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 56' ' ' ARG . 24.6 m-20 -70.71 -43.09 69.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' CYS . 2.0 ptm180 -61.03 -34.78 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.39 -66.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 13.5 ptpt -51.34 -31.11 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -44.61 111.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.3 t -110.37 -64.25 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.49 -142.67 16.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 111.77 2.9 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.703 2.269 . . . . 0.0 112.351 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.7 p -49.53 -48.83 48.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.1 t -55.1 -52.88 61.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.435 179.979 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -95.7 101.42 13.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -120.46 108.85 14.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.89 63.46 4.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -125.13 111.52 15.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -85.42 32.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.04 153.09 39.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.06 144.7 54.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -91.01 -39.84 11.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 4.4 tp-100 -47.11 -71.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -87.59 -46.72 9.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.82 -37.01 2.82 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.53 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -43.79 160.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -82.55 133.81 35.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG12 ' CD2' ' A' ' 28' ' ' HIS . 14.6 mt -84.28 131.11 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.4 mt -132.43 116.22 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.9 -73.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -115.4 116.38 28.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 15' ' ' ILE . 6.7 t -110.68 115.24 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 mm -88.48 101.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -78.03 119.51 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . . . -155.07 161.84 41.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.098 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 10.9 mtp 41.61 29.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 25' ' ' ASN . 44.1 m-20 65.84 42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 68.1 m-80 -164.07 160.58 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.643 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 20.7 p -89.61 144.57 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.643 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.1 m95 -147.74 176.75 9.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.497 ' CD2' HG12 ' A' ' 15' ' ' ILE . 25.4 m80 -94.33 157.21 37.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' HG11 ' A' ' 40' ' ' VAL . 53.9 Cg_endo -69.77 -1.61 8.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.327 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.29 -20.67 5.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' O ' ' N ' ' A' ' 33' ' ' ARG . 22.4 m -78.58 -57.43 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -54.82 81.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 31' ' ' CYS . 49.7 mtm180 -117.06 169.99 9.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 12.4 t -58.53 167.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 17.7 t70 -105.03 0.12 27.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 58' ' ' CYS . 19.7 mt -121.72 -37.55 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -120.43 -5.08 9.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 0.9 OUTLIER 54.08 54.59 9.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 11.3 tt0 -103.81 120.12 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 29' ' ' PRO . 13.2 t -42.16 111.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -102.02 38.49 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.02 -51.22 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -102.23 -54.98 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.506 HD11 HD23 ' A' ' 41' ' ' LEU . 32.9 pt -47.22 -20.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 158.36 31.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -120.59 171.43 8.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.836 HG11 ' CD2' ' A' ' 59' ' ' HIS . 58.8 t -133.29 99.19 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -54.44 122.96 11.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -157.26 132.86 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 46.13 35.2 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.32 31.25 79.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -139.05 144.79 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -88.56 113.95 24.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 35' ' ' ASP . 4.5 mt -121.61 163.16 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.445 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.0 p -100.22 149.43 23.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 3.4 mtt85 -36.88 -52.09 2.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 65.6 Cg_exo -47.93 -63.74 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 72.9 m -61.11 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.836 ' CD2' HG11 ' A' ' 47' ' ' VAL . 73.9 t60 -40.61 -46.46 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -63.57 -39.61 94.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 50.8 mtp180 -62.88 -45.41 92.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -62.0 -64.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 64' ' ' ALA . 17.0 ptpt -48.38 -33.73 9.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 61' ' ' ARG . . . -37.39 120.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 t -157.7 110.08 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.27 136.12 7.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -26.22 28.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.248 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 m -148.24 137.91 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -79.36 112.64 16.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.505 -179.959 . . . . . . . . 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 1.451 -0.304 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -154.25 147.92 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.393 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.6 t -87.62 109.92 20.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.26 45.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.8 p -120.64 160.94 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 71.2 m -104.38 100.93 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.29 142.79 14.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.9 t -53.1 145.17 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.6 t60 -94.91 -38.52 10.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 38.6 tp60 -48.15 -68.76 0.16 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -90.4 -44.31 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 120.77 -38.35 2.74 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -43.97 150.52 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' CE1' ' O ' ' A' ' 6' ' ' SER . 39.2 t80 -73.74 139.09 45.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.474 ' HB ' HG22 ' A' ' 19' ' ' VAL . 8.4 mt -88.75 127.94 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.65 109.12 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.02 -74.82 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -117.06 119.8 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.474 HG22 ' HB ' ' A' ' 15' ' ' ILE . 6.0 t -114.43 120.59 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 mm -91.59 98.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -77.07 115.47 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -152.32 154.95 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.432 ' O ' ' OD1' ' A' ' 25' ' ' ASN . 6.4 mmm 49.33 29.3 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 21.7 m-20 65.86 32.03 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.556 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 1.1 m120 -151.8 158.13 42.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.645 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 44.7 p -88.3 145.85 25.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.645 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.3 m95 -150.93 168.12 25.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -88.08 157.46 51.05 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . 53.3 Cg_endo -69.75 -2.24 9.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.02 -22.16 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' ARG . 34.6 m -76.92 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -54.77 81.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' CYS . 72.6 mtm180 -115.09 175.34 5.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' H ' ' N ' ' A' ' 39' ' ' GLU . 11.9 t -63.08 167.95 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -105.95 0.58 25.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -122.16 -34.19 3.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -125.0 -5.22 7.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.496 ' C ' ' HB3' ' A' ' 33' ' ' ARG . 16.9 mm-40 54.74 53.91 9.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' N ' ' H ' ' A' ' 34' ' ' CYS . 20.1 tt0 -103.64 118.98 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 29' ' ' PRO . 14.6 t -39.02 110.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -99.65 39.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.95 -52.45 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.12 -56.02 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.5 pt -53.54 -32.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.51 168.51 38.53 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -119.2 169.04 10.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.961 0.41 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.017 HG11 ' CD2' ' A' ' 59' ' ' HIS . 58.9 t -132.58 101.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -47.68 126.43 10.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.4 t30 -158.7 119.65 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 51.71 34.63 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.73 71.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -136.46 142.32 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 53' ' ' HIS . 0.0 OUTLIER -87.44 109.9 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 3.1 mt -119.4 164.26 15.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.449 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 22.1 p -99.34 148.56 24.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 5.0 mtt85 -35.08 -52.9 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.571 0.701 . . . . 0.0 110.823 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 64.5 Cg_exo -47.91 -59.03 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 0.0 112.337 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' ARG . 72.3 m -67.06 -62.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 1.017 ' CD2' HG11 ' A' ' 47' ' ' VAL . 78.7 t60 -41.62 -28.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 37.0 m-20 -84.16 -33.97 24.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 58' ' ' CYS . 3.5 ptm180 -73.75 -41.97 61.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 2.6 pp20? -65.66 -54.82 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' ALA . 15.8 ptpt -60.59 -35.46 76.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' LYS . . . -43.6 119.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.102 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m 62.54 50.48 3.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.3 -152.52 6.02 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.542 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.7 Cg_endo -69.77 2.92 3.1 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 67' ' ' PRO . 14.6 m -34.25 -59.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.2 p -58.81 136.8 57.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.474 179.984 . . . . . . . . 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 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -121.79 101.65 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -103.56 -45.44 4.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.71 152.44 9.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -75.7 -55.89 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.396 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.1 m -134.39 176.22 8.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 136.75 3.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 t -57.52 140.83 49.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -90.98 -37.86 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 31' ' ' CYS . 53.6 tp60 -48.62 -71.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -85.93 -39.89 16.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.6 -34.99 4.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -47.98 151.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.9 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -75.6 135.22 40.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 19' ' ' VAL . 10.0 mt -85.66 135.57 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.4 mt -136.08 113.58 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 111.05 -69.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -119.49 114.0 21.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG22 ' HB ' ' A' ' 15' ' ' ILE . 8.6 t -111.11 124.85 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 8.8 mm -95.24 105.18 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -82.54 116.16 21.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.605 ' HB1' ' CZ ' ' A' ' 32' ' ' PHE . . . -155.91 167.85 29.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.057 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 13.2 mtp 40.02 27.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' ALA . 22.1 m-20 67.12 44.33 1.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 59.6 m-80 -167.51 164.56 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.66 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 57.4 p -90.77 144.43 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.66 ' CD1' ' C ' ' A' ' 26' ' ' SER . 1.4 m95 -149.4 175.03 11.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.414 ' CD2' HG12 ' A' ' 15' ' ' ILE . 22.6 m80 -92.32 158.09 39.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 110.851 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.26 6.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -125.84 -27.27 3.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 10' ' ' GLN . 39.9 m -72.09 -53.11 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.605 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 9.3 t80 -60.31 92.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' O ' ' CE1' ' A' ' 53' ' ' HIS . 38.7 mtp180 -122.8 168.63 12.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.428 ' CB ' ' H ' ' A' ' 39' ' ' GLU . 11.3 t -60.47 167.85 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 54' ' ' LEU . 14.7 t70 -106.0 -3.18 21.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD12 ' HB3' ' A' ' 58' ' ' CYS . 32.2 mt -117.71 -34.58 4.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.2 p -124.54 -5.2 7.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CZ ' ' A' ' 33' ' ' ARG . 26.9 mm-40 53.29 54.18 10.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' H ' ' CB ' ' A' ' 34' ' ' CYS . 9.8 tt0 -104.22 130.97 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.485 HG12 ' H ' ' A' ' 42' ' ' ALA . 62.9 t -45.2 114.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.94 37.5 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' H ' HG12 ' A' ' 40' ' ' VAL . . . -89.4 -61.35 1.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -80.28 -48.45 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.64 -31.44 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.3 162.4 36.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -119.08 171.25 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.752 HG11 ' CD2' ' A' ' 59' ' ' HIS . 45.8 t -135.33 114.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -58.18 123.85 17.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.43 ' HB3' ' CD1' ' A' ' 54' ' ' LEU . 47.3 t30 -153.39 128.72 9.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 42.97 39.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.27 35.62 92.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -142.85 141.78 31.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CE1' ' O ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -85.1 111.54 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 49' ' ' ASN . 6.1 mt -119.81 169.38 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.444 ' C ' ' HD2' ' A' ' 57' ' ' PRO . 21.1 p -103.24 148.37 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 9.6 mtt-85 -35.06 -53.02 1.14 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 66.2 Cg_exo -47.98 -65.55 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 36' ' ' LEU . 73.1 m -59.14 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.752 ' CD2' HG11 ' A' ' 47' ' ' VAL . 83.6 t60 -39.67 -44.68 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.2 m-20 -58.38 -43.93 88.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -61.5 -38.21 86.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.99 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.549 ' HD2' ' CD2' ' A' ' 59' ' ' HIS . 12.1 ptmm? -57.8 -29.62 65.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.79 43.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.0 p -73.55 160.37 31.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.886 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.0 -174.92 19.29 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.47 42.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 86.0 p -65.99 154.03 40.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.3 t -74.89 -52.19 11.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.444 -179.965 . . . . . . . . 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_