data_1j0s_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 1j0s _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 1.7 t80 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.534 0.207 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.98 155.2 26.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.8 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -84.57 134.79 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -93.7 -55.05 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -175.18 136.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -103.25 129.52 50.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -155.02 160.84 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.19 135.68 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 m -138.99 134.45 33.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.646 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.54 125.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.99 105.38 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.25 155.51 17.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -99.3 -168.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -30.75 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.743 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.11 11.58 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 t70 74.87 38.03 0.48 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.922 0.391 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.19 135.44 47.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.68 135.43 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 30' ' ' PHE . 8.7 tp -60.94 136.43 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.65 162.26 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 6.5 mm -113.54 154.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.0 m-20 -122.18 -177.11 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -57.08 -22.06 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.15 24.54 31.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 45.26 32.86 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.466 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -94.64 134.22 25.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 94.87 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -102.16 -178.97 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CE1' HD12 ' A' ' 20' ' ' LEU . 10.0 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.39 174.71 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.6 0.238 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 3.6 m-85 -77.95 164.54 25.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 111.278 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.39 145.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.184 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.3 mm -121.5 117.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -101.38 117.63 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mtm -88.88 131.56 35.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 71.1 m-85 -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -81.86 116.91 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.56 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.19 112.63 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.43 170.14 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.9 p -151.92 121.4 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.91 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.7 p -143.83 123.2 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -89.56 129.32 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 126.71 49.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.2 t 179.31 -82.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.341 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.83 -30.2 21.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.32 122.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.981 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.52 119.98 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.464 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -136.35 128.71 30.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 m -102.13 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 15.3 tp -72.85 121.16 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 p -132.81 128.13 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.13 103.2 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -97.73 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -70.23 0.73 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -7.62 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.257 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.92 167.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -103.47 137.58 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 p -140.88 140.18 34.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 10.0 m-85 -93.53 114.24 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -96.79 119.37 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.34 97.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -179.9 137.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.13 150.32 97.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.98 125.1 17.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.498 2.132 . . . . 0.0 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.06 159.7 17.7 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.417 2.078 . . . . 0.0 112.311 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.7 -27.15 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.656 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.68 115.97 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.56 144.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -47.45 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.23 150.7 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.749 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.3 p -79.86 -16.35 55.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.4 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 100.2 4.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.91 173.73 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -72.17 -20.41 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 pt -96.34 -28.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.61 143.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.235 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -130.17 145.05 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.718 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 2.8 m-85 -104.59 99.24 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 5.4 tt0 -87.63 132.73 33.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -139.3 117.58 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -54.02 148.27 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -72.78 160.65 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.5 mmt -138.56 159.44 42.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -123.08 128.17 49.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.403 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 8.4 m-85 -91.43 117.58 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 14.6 tt0 -119.14 158.73 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.2 t -63.55 144.97 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 29.3 p -59.22 -40.72 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t -60.1 -74.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.95 -169.45 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.72 -173.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 113.79 -37.33 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -139.21 127.5 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 27.8 m-85 -121.43 145.45 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 7.4 mt -70.27 139.13 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -143.42 175.33 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 p -115.41 120.68 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 131.93 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -84.27 98.38 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.98 113.19 25.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 60.59 -115.59 0.68 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.64 17.42 21.33 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 122.384 -0.197 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.4 mt -135.11 142.86 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.423 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -98.92 100.28 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.042 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.6 169.62 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.404 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 tp -120.38 130.4 54.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -179.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.31 110.23 20.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 178.22 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 94.91 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.27 170.56 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -30.78 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.33 126.29 50.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.54 -20.42 56.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.045 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.2 19.29 53.23 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.092 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -86.37 122.95 31.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.826 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -54.53 -27.02 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.7 m -54.38 -29.55 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 19.2 pt -108.26 17.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.243 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 9.0 mtt -111.48 143.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.78 165.75 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.32 135.41 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -122.77 127.61 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 161.68 23.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.46 132.59 34.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.24 147.2 9.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tpmt? -84.97 112.91 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -71.93 -59.39 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -177.3 139.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -111.64 135.38 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 -175.79 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.15 134.87 45.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 46' ' ' ILE . 85.0 t -88.42 103.83 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.091 0.472 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.53 108.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -108.0 148.34 29.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 5.4 t30 -91.8 -171.1 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 147' ' ' ARG . 3.2 mm? -72.54 -23.27 60.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.76 11.55 19.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.354 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.81 31.65 4.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -95.0 -168.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.35 131.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.25 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.8 tp -72.28 141.05 48.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.42 158.77 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.443 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 11.2 mm -90.29 145.24 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.35 -175.03 2.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.28 -19.86 56.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.8 19.56 35.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.799 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 55.26 47.58 21.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -113.47 140.95 25.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.997 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.66 95.07 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.527 2.151 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mt -111.03 144.9 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 10.6 m-85 -100.75 123.51 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -143.48 159.84 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 47' ' ' PHE . 2.6 tt . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.411 0.148 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.484 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 77.5 m-85 -77.94 137.96 38.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 2.0 mp -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.63 121.98 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.61 109.34 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 mtm -81.66 125.49 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -97.66 143.05 28.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -71.37 119.79 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.421 -0.271 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.9 ttp -94.01 111.09 22.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.96 104.32 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.58 169.72 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.32 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 p -136.21 122.56 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.725 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mt -86.68 130.48 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 p -150.02 135.3 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.57 151.56 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -135.13 141.04 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.12 0.486 . . . . 0.0 111.429 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.5 t 177.44 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.169 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.29 -27.15 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.093 0.473 . . . . 0.0 109.918 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.57 122.81 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.989 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.94 120.62 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.14 0.495 . . . . 0.0 111.372 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 t -128.49 145.77 51.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.3 m -118.97 149.5 41.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 15.6 tp -75.21 104.55 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 115.04 29.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.0 p -92.1 101.55 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.62 -98.85 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -97.97 -73.82 0.6 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -6.71 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.05 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.91 165.91 4.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -104.63 133.1 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -139.14 136.67 35.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 8.0 m-85 -87.12 122.61 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.13 119.76 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 97.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.34 134.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.37 145.92 97.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.62 125.57 19.46 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.434 2.089 . . . . 0.0 112.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.01 168.28 6.15 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.395 2.064 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -108.12 -26.49 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.778 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.96 104.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mt -93.72 147.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.39 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.61 158.05 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -88.98 -7.64 55.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.399 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 100.04 3.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 167.57 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -69.05 -17.37 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.212 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 pt -99.65 -28.46 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.296 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.23 145.29 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CD1' HD12 ' A' ' 125' ' ' LEU . 39.4 m-85 -137.46 147.32 45.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.32 89.95 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -93.7 111.57 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -123.4 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.44 150.16 40.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.94 163.46 19.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.6 134.61 20.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.393 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -105.81 141.22 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.654 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.14 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -112.51 158.71 19.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -63.87 156.77 26.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -70.83 -43.16 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.8 t -60.58 -75.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.18 -169.73 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.36 -173.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.11 -28.28 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.375 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.25 126.55 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 22.0 m-85 -126.15 137.73 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 101' ' ' PHE . 7.9 mt -69.68 115.45 8.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.06 170.69 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.5 p -104.3 123.32 47.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 126.03 48.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.45 132.93 35.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.686 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 12.6 mt-10 -145.04 96.21 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 0.0 111.602 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.406 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 63.4 mtt180 61.37 -105.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.374 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -110.17 17.46 20.95 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 122.266 -0.271 . . . . 0.0 111.662 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.406 ' HB2' ' CE ' ' A' ' 135' ' ' LYS . 6.3 mt -139.63 151.85 46.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.836 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 129' ' ' LYS . 4.5 m-85 -110.85 100.27 9.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.865 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -89.87 127.33 35.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 111.426 -179.121 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 tp -76.19 139.65 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.21 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.13 111.0 23.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -142.76 170.52 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 94.77 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -60.49 172.32 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.84 -41.68 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.89 121.88 43.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.38 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.03 -21.61 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.77 25.38 25.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.057 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.01 128.12 37.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.407 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.27 -30.79 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.424 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 m -52.98 -28.12 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.257 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 9.5 pt -105.31 22.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 26.9 mtt -117.26 163.88 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -148.71 168.02 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.04 127.54 54.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.52 114.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.77 162.07 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -89.91 122.71 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.371 . . . . 0.0 110.812 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.501 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 8.5 t80 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.541 0.21 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.99 162.11 32.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.776 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -83.4 135.32 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.429 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.436 HD22 ' HG2' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -95.46 -57.55 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.965 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 5' ' ' LEU . 2.5 pt-20 -165.66 125.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.821 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -100.26 126.27 46.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.5 124.46 44.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.3 132.19 51.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.498 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 t -80.99 124.3 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.09 112.05 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.127 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -111.65 168.3 9.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.54 -165.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.01 -32.68 74.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -90.37 11.61 20.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.321 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 66.67 30.66 8.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -94.91 130.31 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.97 134.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 13.5 tp -58.17 128.17 35.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.21 165.44 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.433 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 8.8 mm -106.93 153.96 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.766 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.53 -179.12 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.27 -21.06 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 21.56 38.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.689 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.03 30.18 18.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.731 0.3 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.0 mtt85 -93.82 143.85 27.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.75 94.96 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.609 2.206 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.65 135.73 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 45.1 m-85 -89.28 127.33 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.77 174.67 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 10' ' ' SER . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.624 0.249 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 8.8 m-85 -78.02 163.39 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.983 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.19 136.33 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -112.5 113.96 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.97 114.41 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.9 mtm -89.87 127.23 35.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 56.3 m-85 -106.8 156.66 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -95.99 125.77 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.071 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.849 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.74 125.54 45.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.04 119.75 32.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.21 170.7 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 111.589 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -150.42 107.83 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.02 140.53 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.62 128.87 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 HG23 ' CD1' ' A' ' 47' ' ' PHE . 10.7 p -89.35 137.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HD3' HD13 ' A' ' 71' ' ' ILE . 31.9 mttt -131.27 138.21 49.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.496 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.96 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.842 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -101.18 -27.33 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.012 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 122.5 1.24 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.306 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.569 HD13 ' HD3' ' A' ' 67' ' ' LYS . 16.7 mt -60.72 110.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.186 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -123.88 138.06 54.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.782 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 m -110.36 146.22 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 83' ' ' PHE . 29.4 tp -75.1 114.33 13.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.777 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 p -119.93 137.42 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.43 102.69 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -54.19 -100.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -98.05 -72.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.967 0.413 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.68 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.012 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mt -106.17 164.89 4.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.986 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.4 mm -113.96 146.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.06 141.04 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' A' ' 74' ' ' LEU . 23.8 m-85 -84.45 111.58 19.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.46 123.47 34.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.08 97.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -176.66 126.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.763 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.417 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -62.89 144.2 96.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -51.52 134.08 45.17 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.532 2.154 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.75 168.9 23.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.454 2.103 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.19 -31.92 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -143.11 94.06 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -79.53 138.74 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -32.52 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.618 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.3 158.08 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -20.47 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 100.23 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.411 ' OG ' HG12 ' A' ' 100' ' ' ILE . 4.3 p -92.91 173.79 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -71.52 -18.71 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.9 pt -92.4 -30.72 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.618 0.246 . . . . 0.0 111.402 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG12 ' OG ' ' A' ' 97' ' ' SER . 29.3 mm -59.69 130.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -122.74 140.4 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 118' ' ' SER . 2.5 m-85 -100.98 99.56 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.06 123.72 30.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.658 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 120.72 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -64.41 145.4 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.058 0.456 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -93.33 174.51 7.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.971 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.32 145.54 30.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -116.42 139.06 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.718 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.416 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 3.3 m-85 -101.77 118.97 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -117.55 154.58 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 t -66.05 140.66 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.43 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 1.5 t -59.56 -30.69 68.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.9 m -64.0 -73.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 -170.36 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.22 -174.36 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.81 -19.75 52.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.579 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.13 123.29 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.417 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 17.1 m-85 -129.83 137.31 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 7.1 mt -66.34 108.45 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.762 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -111.8 179.74 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 22.1 p -119.35 119.9 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.8 129.33 45.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -91.13 113.04 25.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 119.98 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 59.0 -118.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.509 0.195 . . . . 0.0 111.457 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.445 ' O ' ' NZ ' ' A' ' 135' ' ' LYS . 11.2 mt -129.52 157.53 41.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.947 0.403 . . . . 0.0 111.584 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -113.87 99.9 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 133' ' ' LEU . 0.3 OUTLIER -85.82 122.56 30.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.713 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -82.35 126.01 31.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.78 -179.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.25 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.44 109.67 21.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.724 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -142.82 171.58 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.41 101.01 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.791 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.57 167.26 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -79.96 -30.14 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -125.25 128.45 48.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.642 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.47 -23.27 65.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.58 25.98 20.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.164 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -88.97 120.06 30.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 148' ' ' SER . 0.0 OUTLIER -53.2 -24.87 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.454 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' SER . . . . . 0.406 ' N ' ' HD2' ' A' ' 147' ' ' ARG . 2.5 m -58.22 -24.09 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 24.5 pt -114.64 15.94 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.469 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 10.2 mtt -108.97 128.23 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -118.15 177.84 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.77 129.52 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 17.7 t -116.29 132.97 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.08 161.78 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.75 132.08 34.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.534 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 2.5 t80 . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.629 0.252 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.86 153.65 24.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.712 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -86.01 133.57 33.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -93.44 -56.96 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -171.13 142.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 128.49 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -150.63 164.25 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.06 122.09 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -128.23 129.71 46.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.52 128.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.17 103.18 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -98.85 157.18 16.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 7.5 t30 -95.29 -165.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.21 -29.37 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.75 11.54 22.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.373 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 73.19 32.59 1.26 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -102.31 127.58 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 t -87.2 137.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' CE2' ' A' ' 30' ' ' PHE . 6.9 tp -62.34 136.99 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -145.8 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' CE1' ' A' ' 47' ' ' PHE . 9.6 mm -96.02 149.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.81 -176.83 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.4 -20.0 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.3 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.59 19.44 39.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.662 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 56.37 40.7 29.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -107.22 140.47 21.49 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.1 103.2 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.51 2.14 . . . . 0.0 112.266 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mt -121.88 138.78 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 14' ' ' ASN . 77.1 m-85 -83.86 126.46 32.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -133.1 146.84 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.675 0.274 . . . . 0.0 111.121 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 22' ' ' ILE . 1.2 m-85 -77.99 156.67 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.053 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.74 138.14 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -110.59 135.06 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -115.27 120.87 41.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 mtm -95.48 129.41 42.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 87.7 m-85 -99.73 158.32 15.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -88.69 111.77 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 ttp -108.42 111.19 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 109.35 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.8 167.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -142.68 126.02 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.01 136.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 134.12 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.27 142.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -115.35 132.76 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 t -179.38 -141.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.576 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -46.23 -30.09 1.86 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.163 0.506 . . . . 0.0 110.325 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 124.97 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.054 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -68.64 133.92 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.309 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -137.11 137.69 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.6 m -112.07 134.0 53.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.49 110.02 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -122.07 129.6 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.5 p -100.19 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -101.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -98.04 -67.96 0.82 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.454 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -6.75 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.209 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.67 165.63 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.4 mm -111.95 142.04 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -154.21 147.0 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 22' ' ' ILE . 16.4 m-85 -90.02 109.73 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -90.61 123.83 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.09 98.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ptm -176.93 133.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -71.05 147.91 94.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.67 124.96 17.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -59.68 172.09 2.33 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.413 2.075 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.27 -28.05 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -154.06 82.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 2' ' ' PHE . 48.7 mt -65.25 148.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 37.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.67 153.64 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m -83.97 -12.59 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.382 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 103.03 3.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.91 173.86 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.03 -8.82 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.497 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -108.44 -27.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.709 0.29 . . . . 0.0 111.441 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.5 140.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -132.39 116.37 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -79.93 97.21 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.26 132.36 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 117.35 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -64.66 142.66 58.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 36.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.045 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.913 0.387 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -91.26 173.97 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.19 143.58 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.041 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -114.07 128.16 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -85.99 109.64 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.412 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 2.6 tt0 -104.47 158.74 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -74.73 149.95 39.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.4 p -63.5 -43.0 98.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.4 t -56.2 -75.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.07 -171.36 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 36.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.448 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.77 -4.3 65.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.584 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -150.13 140.6 22.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.757 0.313 . . . . 0.0 110.726 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.412 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 16.0 m-85 -134.63 130.84 37.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.055 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.11 145.74 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -151.71 174.84 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 132.06 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.39 119.75 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -76.96 103.25 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.0 107.01 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.638 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 60.87 -115.08 0.63 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.579 0.228 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.5 mt -135.77 142.57 44.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 111.469 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -99.42 100.29 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.046 179.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.87 123.31 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.482 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.11 126.52 32.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.44 173.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.5 tp -103.22 122.54 44.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -153.81 -177.61 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 95.55 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.529 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 pm0 -60.06 173.16 0.66 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.87 -34.98 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -125.7 123.84 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.31 -23.1 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.04 19.14 54.84 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.351 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -84.45 124.38 31.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -55.83 -26.47 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.301 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.3 m -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 9.3 pt -100.44 19.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.816 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.8 177.54 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.55 130.47 49.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.68 130.85 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -129.46 161.86 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.43 132.14 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.47 159.96 27.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 116.23 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -177.06 138.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 p -112.22 115.91 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.2 -175.83 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.48 122.76 45.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.419 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.98 135.32 50.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 t -81.0 143.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.62 110.44 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -118.49 134.25 55.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.356 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -99.47 -165.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.94 -26.62 62.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -87.15 11.6 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.475 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.26 25.73 2.63 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 111.507 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -99.2 134.11 42.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -83.67 129.8 36.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 13.2 tp -60.44 143.2 53.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -156.68 165.09 37.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 HG12 ' CE2' ' A' ' 47' ' ' PHE . 14.9 mm -93.27 151.35 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -176.82 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -19.02 63.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.73 5.17 56.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.917 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 67.6 46.68 1.31 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.222 0.535 . . . . 0.0 110.184 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HG3' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.86 147.83 40.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.089 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.35 95.89 1.01 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 HD12 ' HG3' ' A' ' 27' ' ' ARG . 10.7 mt -121.15 140.84 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 32.7 m-85 -83.81 141.63 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -137.92 148.61 45.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CE2' HG12 ' A' ' 22' ' ' ILE . 53.8 m-85 -78.28 163.06 26.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.399 . . . . 0.0 111.065 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -96.4 114.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.57 131.05 35.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.99 104.33 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 mtm -81.03 128.21 33.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -102.66 134.28 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -73.32 105.88 4.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.3 ttp -97.97 109.9 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.95 117.64 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.85 169.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.254 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -147.73 113.41 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.775 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 mt -84.31 127.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -143.39 139.1 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -97.28 144.44 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -135.35 137.98 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.178 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -27.5 14.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.964 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.36 123.14 2.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.295 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.49 119.87 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.334 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -133.38 146.35 51.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 m -123.76 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 p -130.42 143.48 50.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.01 105.4 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.06 -100.0 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.98 -73.85 0.6 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.959 0.409 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.71 -6.72 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mt -105.91 165.48 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -111.39 143.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 p -154.16 151.82 29.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CE2' HD11 ' A' ' 22' ' ' ILE . 6.6 m-85 -95.33 120.25 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 115.5 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 98.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ptm -176.53 133.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.38 146.13 96.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.5 138.1 48.93 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.422 2.081 . . . . 0.0 112.274 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.74 170.63 19.58 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.25 -41.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.44 103.64 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.3 mt -86.17 143.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -26.63 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.89 150.95 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -85.97 3.59 41.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.297 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.74 102.08 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.71 171.45 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -74.01 -21.33 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -94.88 -28.41 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.91 133.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -129.52 143.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 18.0 m-85 -108.73 103.07 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -85.83 137.81 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -142.11 120.85 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.38 159.66 6.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -103.89 165.52 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.2 154.45 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.025 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -123.89 132.17 53.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.74 115.62 27.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -108.19 158.28 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 153.51 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 83.0 p -65.18 -40.86 94.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.008 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' A' ' 120' ' ' TYR . 8.2 t -56.44 -67.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.401 ' CD1' ' OG ' ' A' ' 119' ' ' SER . 4.1 p90 -158.68 -171.57 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.49 37.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.347 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.67 66.63 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -150.18 138.54 20.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.45 138.06 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.3 114.99 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.45 -178.41 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.9 p -122.22 124.25 43.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.97 127.43 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.91 101.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.83 110.29 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 60.71 -115.81 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -109.65 17.51 21.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.556 0.217 . . . . 0.0 111.28 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -132.05 141.48 49.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.082 0.468 . . . . 0.0 111.545 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 129' ' ' LYS . 2.2 m-85 -99.19 100.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.819 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -81.82 156.38 24.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.35 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.47 124.82 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.6 pt -129.38 -179.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.37 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.4 tp -129.81 112.55 13.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.781 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -154.73 176.15 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.68 99.57 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.5 pm0 -60.28 175.22 0.45 Allowed 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.91 -38.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.81 126.1 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.51 -24.76 67.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.94 26.45 22.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.4 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.66 129.35 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -29.7 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 p -53.91 -32.03 52.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 6.3 pt -106.81 24.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 17.5 mtt -117.61 137.44 52.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -131.6 164.65 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 138.81 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.774 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.93 140.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 161.73 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -90.42 132.78 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.468 0.175 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.82 174.42 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.935 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -94.68 132.67 39.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.57 -56.52 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -172.12 136.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.804 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.65 120.63 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -147.59 169.62 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mt -89.98 138.86 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 141.03 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.32 123.23 39.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -110.39 114.26 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -113.01 159.04 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' CZ ' ' A' ' 30' ' ' PHE . 2.5 t30 -99.16 -163.94 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.45 -29.02 59.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -89.96 11.62 19.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.36 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 72.37 25.45 2.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -101.63 123.8 46.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.08 150.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.301 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' CE1' ' A' ' 30' ' ' PHE . 15.1 tp -74.13 138.0 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.21 155.62 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.438 HG12 ' CE1' ' A' ' 47' ' ' PHE . 10.3 mm -92.33 144.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -107.13 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.25 -24.16 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.72 33.42 6.07 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.401 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 45.48 44.33 9.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 111.364 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -103.51 134.21 19.88 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.29 95.02 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.421 2.081 . . . . 0.0 112.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.44 152.87 26.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE1' HD11 ' A' ' 20' ' ' LEU . 52.0 m-85 -103.66 133.18 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.38 172.91 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.65 0.262 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -77.6 166.23 23.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.047 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.05 148.22 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.377 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.7 mm -121.14 112.82 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.68 107.11 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.2 mtm -82.62 127.64 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 11.1 m-85 -101.91 157.78 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -84.03 115.37 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.75 0.084 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm -111.39 118.32 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.667 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.83 125.7 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.267 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.26 169.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.417 HG23 ' CE1' ' A' ' 52' ' ' TYR . 81.9 p -144.63 115.47 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.19 135.13 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 139.26 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.183 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.4 136.0 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' HG2' HD12 ' A' ' 71' ' ' ILE . 18.2 mttt -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 0.0 111.443 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -179.51 -85.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.891 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -93.5 -24.07 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.188 0.518 . . . . 0.0 109.667 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.93 127.72 6.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.848 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.437 HD12 ' HG2' ' A' ' 67' ' ' LYS . 3.0 mt -78.37 117.81 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 111.312 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -128.57 143.76 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -126.5 135.81 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 83' ' ' PHE . 41.0 tp -65.02 124.49 22.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -134.06 139.86 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -114.39 102.54 10.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.81 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -98.07 -72.74 0.64 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.895 0.379 . . . . 0.0 110.478 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.69 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.999 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 mt -106.89 165.65 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.066 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -111.92 145.36 18.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -158.0 141.13 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' A' ' 74' ' ' LEU . 24.4 m-85 -87.93 113.77 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.96 123.74 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.17 97.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.6 ptm 179.93 138.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -71.79 149.19 92.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.83 135.47 41.48 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.67 161.56 30.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.415 2.077 . . . . 0.0 112.408 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.17 -31.18 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -146.15 125.82 13.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mt -106.22 147.26 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 29.64 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -140.74 156.28 46.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -7.35 56.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.35 104.22 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.89 169.61 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -76.9 -24.37 52.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.65 -30.8 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.275 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.38 134.1 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 30.4 m-85 -122.52 151.91 40.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.8 m-85 -111.02 92.08 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.39 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 8.1 tt0 -93.33 115.99 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.331 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.508 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpt180 -126.22 146.6 49.92 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.17 155.92 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.091 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -78.47 162.56 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 8.2 mmt -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.92 129.04 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 7.4 m-85 -90.06 118.89 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 9.4 tt0 -119.44 158.78 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -62.72 147.56 49.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 86.4 p -58.35 -43.78 88.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 t -58.58 -76.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.02 -167.42 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.5 -174.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.15 -33.76 5.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -135.09 121.12 19.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 10.9 m-85 -119.69 137.33 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.453 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 5.9 mt -68.87 119.66 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -124.56 172.7 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 19.4 p -105.82 126.42 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.01 96.33 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.823 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -105.62 99.18 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 61.78 -110.64 0.4 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.68 17.4 21.33 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.504 0.193 . . . . 0.0 111.378 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.13 142.53 44.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.002 0.429 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 36.3 m-85 -96.88 101.57 13.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.096 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.94 128.83 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.89 146.79 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 pt -155.43 -179.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -126.34 114.98 18.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -151.97 -176.95 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.48 99.2 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -62.66 178.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.88 -28.63 39.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.48 125.27 36.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.38 -26.17 68.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.3 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.17 123.45 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -27.28 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.7 m -54.6 -30.19 53.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.817 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 21.6 pt -105.66 16.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 7.0 mtt -111.42 153.18 26.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 5.6 m-85 -138.93 177.83 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.3 140.31 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.5 t -124.32 139.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -136.44 161.81 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.748 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.29 133.04 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CE2' ' CB ' ' A' ' 52' ' ' TYR . 1.5 t80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.493 0.187 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.7 -179.19 29.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.996 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CE ' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -100.12 133.07 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.036 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.38 -52.18 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 142.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 132.3 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -152.18 176.68 11.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -96.9 130.37 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.17 135.33 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.41 126.06 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -106.2 117.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.757 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 29.1 p-10 -91.88 -171.41 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.26 -20.31 64.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.359 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.95 11.46 18.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.497 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 63.75 28.32 14.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.379 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -109.61 144.73 37.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.28 149.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 HD12 ' CE1' ' A' ' 30' ' ' PHE . 12.1 tp -77.61 144.94 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 31' ' ' GLU . 6.1 p90 -156.53 152.19 27.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 11.1 mm -89.08 143.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.01 -179.28 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.69 -20.5 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.07 21.32 31.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 57.25 50.11 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -115.96 139.5 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.16 108.59 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 11.2 mt -123.67 155.82 37.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CE1' HD12 ' A' ' 20' ' ' LEU . 57.0 m-85 -114.62 123.78 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -149.21 172.09 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.548 0.213 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 6.4 m-85 -78.22 165.29 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.998 0.428 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.66 129.75 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.6 mm -100.72 117.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.37 121.25 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 mtm -96.33 133.63 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CE2' ' A' ' 2' ' ' PHE . 4.8 m-85 -103.88 151.78 22.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -85.42 123.16 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.963 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 ttp -85.64 109.31 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.18 99.7 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.15 167.45 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.7 p -146.41 128.5 15.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.92 122.92 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.684 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 p -127.66 132.75 49.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 111.274 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.62 124.14 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.757 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -116.49 138.53 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.14 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.217 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.441 ' C ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -90.82 -35.39 14.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -148.45 126.14 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.132 179.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mt -64.08 116.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.0 t -127.74 156.88 41.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 m -130.91 143.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 83' ' ' PHE . 13.6 tp -72.75 109.33 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.584 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 135.08 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.147 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.6 p -102.67 101.7 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -157.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -41.58 -30.06 0.2 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mt -74.89 159.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.41 127.49 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.0 m -145.56 149.32 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.057 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' A' ' 74' ' ' LEU . 13.7 m-85 -92.19 117.48 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.713 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.67 134.17 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.61 106.34 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.9 ptm -178.15 118.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.07 149.52 90.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.59 128.59 30.05 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.518 2.145 . . . . 0.0 112.184 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.99 158.19 53.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.394 2.063 . . . . 0.0 112.284 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -93.13 -33.39 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -143.96 93.84 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -75.27 123.88 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -26.98 57.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.59 158.08 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.1 m -82.62 -19.16 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 101.79 5.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.95 163.28 13.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.789 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -64.84 -21.78 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 pt -93.65 -30.09 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.7 mm -58.69 142.3 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 0.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 32.2 m-85 -131.1 148.6 52.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.2 m-85 -107.11 99.57 9.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 31.1 tt0 -92.38 129.76 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.243 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.23 149.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.01 164.92 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.0 mmt -126.74 151.8 47.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -117.65 122.65 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.417 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 9.7 m-85 -95.48 113.48 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.2 tt0 -115.63 158.86 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.947 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 1.1 p -57.32 -28.4 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -160.63 91.08 0.89 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.516 0.198 . . . . 0.0 111.071 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 120' ' ' TYR . 8.8 pt-20 44.75 -173.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.248 0.547 . . . . 0.0 111.692 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.46 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.521 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -133.81 120.11 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 8.0 m-85 -107.5 155.89 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.434 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 6.0 mt -79.85 110.57 15.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.15 175.1 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.78 117.72 31.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.3 127.46 37.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -84.11 94.23 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.25 104.7 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.809 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 61.49 -112.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.575 0.226 . . . . 0.0 111.225 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.42 142.91 47.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 111.303 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -98.86 100.39 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.259 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -88.07 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.8 145.08 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.1 pt -151.24 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.4 tp -133.57 115.44 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -156.72 173.67 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 95.76 8.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 149' ' ' ILE . 5.2 pm0 -60.48 172.87 0.79 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.02 -37.11 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.92 124.31 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.686 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.86 -23.41 64.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.237 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.92 21.05 45.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.42 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 127.75 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.975 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -27.87 61.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -29.2 38.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . 0.401 HG21 ' CB ' ' A' ' 141' ' ' GLU . 3.1 pt -108.04 22.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.238 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 25.7 mtt -113.38 148.22 36.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.86 161.85 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.64 126.18 51.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -117.63 133.6 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -123.72 161.63 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.75 131.46 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.45 145.65 13.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -77.52 125.27 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -84.21 -55.73 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -175.96 143.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -111.01 114.5 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -134.93 -175.85 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.58 127.0 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.2 134.29 47.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.439 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.1 134.49 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.132 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -119.14 114.45 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.169 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -112.51 160.87 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 9.7 t30 -106.68 -170.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.4 -29.05 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.62 11.57 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 68.4 30.46 5.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -104.89 141.16 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.2 t -84.46 140.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.53 136.45 55.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.59 156.17 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.425 HD11 ' CE2' ' A' ' 83' ' ' PHE . 10.5 mm -100.46 153.5 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.96 -178.76 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.08 -20.37 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.37 19.95 38.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.719 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 58.56 30.78 20.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -93.38 132.35 30.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.13 94.93 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.551 2.167 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mt -113.47 136.84 52.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 14' ' ' ASN . 61.2 m-85 -83.9 145.19 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.024 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -148.62 167.24 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 20.1 m-85 -78.24 157.29 29.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.76 137.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.0 mm -114.17 124.52 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.075 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.37 107.48 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 mtm -81.07 129.37 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -98.59 147.89 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -82.78 123.29 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.367 -0.293 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -103.79 103.91 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 116.01 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -132.66 170.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.61 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 p -146.34 104.36 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.644 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mp -77.8 136.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.024 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.25 142.86 22.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.8 p -98.33 138.81 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.64 133.75 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.51 . . . . 0.0 111.31 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.65 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.11 -28.46 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.164 0.507 . . . . 0.0 109.89 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -158.68 126.22 5.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.128 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.1 118.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 0.0 111.387 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -131.82 152.25 51.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 m -127.08 141.73 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 83' ' ' PHE . 11.8 tp -68.06 100.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.86 127.32 43.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.1 p -102.81 101.35 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -44.32 -69.1 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.434 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 -6.65 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.787 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mt -102.98 163.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.973 0.416 . . . . 0.0 111.308 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.7 mm -120.62 139.71 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -159.01 144.57 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 22' ' ' ILE . 23.0 m-85 -81.7 109.1 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -91.28 120.89 32.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.93 97.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ptm -171.11 141.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -80.93 142.79 52.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.599 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.25 127.77 23.19 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.478 2.119 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.15 161.17 43.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.067 . . . . 0.0 112.248 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -39.86 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.85 111.51 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -88.68 136.3 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -41.95 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.07 155.52 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 -22.82 42.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 100.12 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.85 160.98 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.43 -19.88 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 27.0 pt -95.58 -13.88 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.463 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mm -81.64 137.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 125' ' ' LEU . 25.7 m-85 -131.41 141.71 49.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -95.85 102.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 13.7 tt0 -87.16 131.25 34.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.94 117.23 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 p -57.5 161.63 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.897 179.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.033 0.444 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -85.21 166.39 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.7 mmt -137.14 158.01 45.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.05 133.78 51.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 44.5 m-85 -102.61 110.91 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 16.3 tt0 -102.95 157.64 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.07 136.06 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.5 p -56.48 -38.63 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.24 -66.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -157.41 -168.04 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 25.47 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.45 -21.29 72.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -149.94 163.62 37.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.774 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 37.5 m-85 -141.34 143.21 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 101' ' ' PHE . 1.8 mt -67.06 123.0 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.0 162.83 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.43 134.23 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -113.38 129.89 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.447 ' CG ' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -78.44 116.56 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.411 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.514 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 5.0 mt-10 -117.8 87.74 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.173 0.511 . . . . 0.0 111.522 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 63.78 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.721 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.29 -9.06 14.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.57 138.81 52.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.968 0.413 . . . . 0.0 112.019 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.447 ' CE2' ' CG ' ' A' ' 129' ' ' LYS . 7.6 m-85 -98.25 100.29 11.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.652 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.514 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -83.72 170.77 13.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.969 0.414 . . . . 0.0 111.435 -178.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.5 tp -128.72 133.75 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.838 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.91 178.18 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.38 112.52 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -146.36 176.76 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 111.177 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.34 94.79 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.655 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -60.47 178.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -33.46 21.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.91 123.62 40.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.78 23.41 34.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.235 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.55 126.84 36.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -29.22 57.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -53.86 -27.41 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 8.7 pt -110.3 22.2 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.91 133.71 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.95 177.83 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 136.38 54.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.4 t -132.04 127.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.37 161.83 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.14 130.27 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.27 159.54 22.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -85.67 108.56 18.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.93 -59.0 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.5 124.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 114.59 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -147.0 -175.85 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.79 131.57 49.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -132.14 136.8 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.542 179.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.26 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.118 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -107.76 116.77 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -117.16 155.1 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.98 -176.51 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.34 12.24 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.29 21.6 6.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.984 0.421 . . . . 0.0 111.536 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.89 -169.99 2.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.31 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.43 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 17.1 tp -66.52 132.66 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.88 158.79 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 8.0 mm -105.47 149.83 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.92 -179.19 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.44 -23.04 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.33 28.49 15.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 45.37 30.59 0.72 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 111.519 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -90.83 136.3 27.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.77 96.8 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.492 2.128 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.64 148.19 38.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 24.5 m-85 -103.14 128.59 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -153.92 156.15 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.533 0.206 . . . . 0.0 110.628 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.425 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 8.4 m-85 -78.05 152.75 32.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.417 HD11 ' CE ' ' A' ' 67' ' ' LYS . 4.7 mp -75.15 135.03 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mm -114.92 119.82 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -102.12 113.68 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.4 mtm -87.98 122.78 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 51.3 m-85 -98.05 136.93 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -75.98 121.07 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.6 t0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.768 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.735 -0.146 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.5 ttp -93.56 120.64 34.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 119.46 22.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.7 m -139.84 170.55 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.36 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.9 p -148.98 119.21 7.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.67 129.29 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -139.58 126.79 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.06 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.35 140.44 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 71' ' ' ILE . 11.9 mttm -134.38 138.49 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.465 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t 178.48 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.097 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -96.79 -27.81 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' HD2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -163.81 126.77 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.12 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.676 HD12 ' HD3' ' A' ' 67' ' ' LYS . 19.7 mt -61.96 125.03 17.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -137.95 127.92 25.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.781 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -105.6 140.11 39.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 83' ' ' PHE . 29.1 tp -68.6 113.36 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.22 127.88 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.75 101.44 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.59 -155.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -42.0 -30.97 0.3 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.611 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 -32.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mt -79.17 145.16 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.5 mm -95.87 138.8 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 71.1 m -156.34 139.09 15.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' A' ' 74' ' ' LEU . 31.5 m-85 -81.36 105.77 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -85.56 123.01 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.29 98.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -173.84 133.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.38 132.83 94.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 135.06 59.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.395 2.063 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.07 176.61 9.91 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.96 -37.27 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -134.87 97.13 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.4 mt -81.91 122.28 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -17.86 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.41 158.14 15.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -3.73 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.431 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.74 99.71 1.87 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.861 0.363 . . . . 0.0 111.335 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.31 151.6 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.01 -25.66 58.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.943 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 pt -87.33 -30.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.25 129.09 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -123.93 150.18 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.27 97.19 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 36.0 tt0 -96.01 112.62 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.1 tpt85 -128.09 148.12 50.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 111.146 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.28 155.89 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.19 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -90.0 161.67 15.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 14.0 mmt -127.01 164.98 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.976 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.421 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.2 tt0 -136.05 128.17 29.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 9.0 m-85 -92.4 115.31 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 21.6 tt0 -112.35 157.03 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.36 145.32 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.0 p -64.43 -43.19 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -68.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -158.09 -178.01 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -175.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.4 -25.63 26.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.33 115.32 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 23.2 m-85 -118.88 142.58 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 4.6 mt -68.29 117.51 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -125.89 176.84 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.275 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.4 p -111.07 131.15 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.68 135.64 50.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 98.86 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.77 103.23 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 61.45 -114.01 0.54 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -109.59 17.47 21.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.651 0.262 . . . . 0.0 111.035 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -129.01 143.58 50.91 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.063 0.459 . . . . 0.0 111.56 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.97 100.26 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.847 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -89.08 168.89 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.354 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 tp -121.66 126.23 48.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.739 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -179.98 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.0 tp -109.28 110.77 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 110.605 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -150.01 179.08 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 103.88 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.43 175.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -29.25 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -124.91 123.95 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.63 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.37 -26.23 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.46 26.78 18.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.313 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -86.63 120.64 28.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.721 0.296 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -24.66 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -30.96 61.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.924 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 13.7 pt -101.6 13.01 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.1 mtt -106.62 141.71 37.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.48 159.54 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.79 124.83 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.64 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.9 t -118.18 129.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 161.83 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -80.53 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.489 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 2.9 t80 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.96 171.46 36.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.892 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -84.57 138.26 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -98.5 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -167.45 142.49 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.68 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.86 -178.8 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 mt -109.32 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.013 0.435 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -128.07 138.97 52.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.471 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.99 123.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -102.47 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.202 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -105.36 153.48 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.777 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 7.9 t30 -103.51 -168.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.16 -27.42 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.5 11.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.342 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 68.9 31.33 4.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -105.83 143.24 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.81 138.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD11 ' CE1' ' A' ' 30' ' ' PHE . 11.4 tp -57.9 146.45 32.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -151.99 160.68 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 8.7 mm -105.04 154.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.25 177.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -22.91 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.212 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.67 27.66 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 45.5 44.59 9.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.373 . . . . 0.0 111.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -107.19 137.96 19.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 94.93 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.423 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.97 140.79 45.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' HD11 ' A' ' 20' ' ' LEU . 21.0 m-85 -89.53 123.58 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.46 151.77 51.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.523 0.201 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 21.7 m-85 -78.31 161.46 27.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.828 0.347 . . . . 0.0 110.967 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.37 132.97 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mm -105.99 114.29 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.83 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mtm -89.87 129.61 36.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 20.8 m-85 -100.25 154.05 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 111.04 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -88.61 117.8 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.4 -0.28 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.15 105.94 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.88 98.87 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.34 170.61 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.579 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.1 p -138.92 121.48 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.747 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.99 121.1 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.849 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 p -132.22 138.53 47.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.34 131.51 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -126.62 136.96 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.286 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.87 -80.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -96.64 -26.98 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.066 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 123.07 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.03 122.1 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.6 124.56 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.7 m -100.79 141.9 33.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 83' ' ' PHE . 40.0 tp -73.27 104.98 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 130.27 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 p -99.93 101.42 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -152.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.77 -72.12 0.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.665 0.269 . . . . 0.0 111.425 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -6.67 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.7 mt -103.03 159.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.409 . . . . 0.0 111.364 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.1 mm -112.92 135.38 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.74 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m -155.31 147.49 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 22' ' ' ILE . 10.7 m-85 -87.72 114.44 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.51 124.03 38.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.05 99.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.6 ptm -177.82 137.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -76.72 155.08 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.49 130.78 31.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.483 2.122 . . . . 0.0 112.052 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.22 161.87 20.19 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.524 2.149 . . . . 0.0 112.674 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -88.71 -40.42 13.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.442 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 129.27 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.437 HG21 HD13 ' A' ' 92' ' ' ILE . 50.2 mt -115.04 -10.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.29 29.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 111.4 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.63 137.07 16.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.6 p -80.61 4.01 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 99.82 1.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.986 0.422 . . . . 0.0 111.564 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.32 173.82 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.637 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.91 -1.07 46.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.418 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 pt -115.71 -27.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.722 0.296 . . . . 0.0 111.423 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.408 HG12 ' CB ' ' A' ' 97' ' ' SER . 31.1 mm -57.26 142.64 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.527 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 125' ' ' LEU . 4.8 m-85 -133.59 126.47 31.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.671 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 118' ' ' SER . 1.9 m-85 -85.81 95.61 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.334 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 8.0 tt0 -95.53 121.97 37.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 143.38 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.561 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.8 144.76 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.462 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.778 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.878 0.37 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -81.02 157.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.8 mmt -129.32 156.65 43.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.97 139.44 53.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.414 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 6.0 m-85 -99.53 123.01 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 1.8 tt0 -118.69 158.68 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.61 131.61 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.443 ' HA ' ' CD2' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -55.68 -35.23 65.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 62.9 m -59.96 -71.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 119' ' ' SER . 57.6 m-85 -159.92 -179.18 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.74 -173.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.57 -28.31 16.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -129.36 126.74 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 19.2 m-85 -127.77 137.74 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 101' ' ' PHE . 5.1 mt -67.98 115.0 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.0 176.09 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.62 129.22 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.58 127.96 55.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.04 95.29 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.6 105.75 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 59.42 -111.72 0.55 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.756 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.61 17.64 21.12 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.666 0.27 . . . . 0.0 111.26 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mt -138.57 137.15 36.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.67 100.18 13.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -89.61 130.8 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.403 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.37 126.41 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.586 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.83 175.56 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 15.3 tp -104.07 111.01 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.473 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -145.06 171.64 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 96.51 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 170.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -79.9 -48.88 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.462 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -106.49 123.6 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.2 mt -68.16 -24.34 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.08 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.26 25.09 27.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.29 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.4 132.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -29.09 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.01 -27.24 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 5.4 pt -113.7 21.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 10.4 mtt -116.83 125.68 51.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' CD1' ' A' ' 151' ' ' PHE . 3.9 m-85 -113.95 164.66 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.31 130.64 56.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.3 t -123.7 125.49 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.03 161.91 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.719 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -84.96 129.79 34.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.791 0.329 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.41 147.35 18.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -88.19 116.28 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.85 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -177.46 145.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 t -107.27 134.37 50.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -148.87 166.04 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -88.29 140.79 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -139.77 142.76 36.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.62 103.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.5 mt -88.51 107.66 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -116.31 169.19 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.45 -164.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? -74.14 -28.51 61.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.87 11.53 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.427 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.38 39.71 2.17 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -110.04 129.9 55.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.91 147.43 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -75.81 151.99 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -156.78 163.17 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.442 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.3 mm -97.0 153.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.16 179.28 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.27 -19.11 61.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.19 16.38 49.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.855 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 57.91 44.6 19.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.11 141.51 26.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.29 97.77 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.0 134.87 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 96.4 m-85 -84.34 161.44 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.1 149.43 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 47' ' ' PHE . 2.7 tt . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.464 0.173 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 76.3 m-85 -77.9 159.49 28.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -101.02 125.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.7 mm -98.46 129.33 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.29 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -111.12 107.3 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.8 mtm -80.98 125.93 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -94.37 146.48 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -91.67 108.42 19.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.1 ttp -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.98 101.63 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.05 170.41 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.307 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.5 p -142.81 129.07 19.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.43 123.71 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 141.31 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.29 143.62 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -136.57 141.34 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.036 0.446 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -82.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.206 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -95.49 -27.11 15.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 109.996 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 122.72 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.165 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.81 132.17 32.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 t -145.8 153.64 41.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -129.49 139.59 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 tp -70.34 115.36 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -123.08 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.2 101.97 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.64 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -97.88 -72.13 0.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -6.58 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -107.47 166.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.403 ' CG1' ' HA ' ' A' ' 137' ' ' ILE . 33.2 mm -113.54 143.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -156.72 142.19 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -83.02 113.39 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -95.1 127.93 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.31 98.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.5 ptm -173.11 131.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -71.91 145.66 89.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.23 127.34 24.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.161 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.63 161.05 34.36 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.433 2.088 . . . . 0.0 112.404 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.87 -30.85 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -150.63 105.39 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.5 mt -83.51 151.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.068 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -78.94 -32.23 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.371 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -98.27 154.17 17.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 m -80.04 -11.47 59.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 100.13 3.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.818 0.342 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.89 157.0 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -62.8 -21.37 65.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 pt -92.95 -30.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.292 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.9 mm -59.34 132.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.31 144.1 51.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.6 m-85 -101.97 96.31 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -82.3 130.82 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.06 27.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.33 146.66 53.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -95.51 170.38 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -150.33 154.9 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -120.38 136.64 54.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -95.9 108.1 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -104.89 157.62 17.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.07 153.55 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 2.4 p -71.25 -39.25 71.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 4.9 t -65.48 -67.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 119' ' ' SER . 85.6 m-85 -159.37 -177.66 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.92 -174.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.31 -25.41 15.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.634 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.16 141.21 40.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.802 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 24.3 m-85 -136.64 135.89 38.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.2 108.96 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.384 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -111.71 178.65 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.0 p -112.81 153.46 27.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -139.58 129.53 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.94 96.93 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.781 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 107.08 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 60.88 -112.4 0.51 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.79 17.7 20.95 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 122.345 -0.222 . . . . 0.0 111.486 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.0 mt -137.96 144.57 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.675 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.454 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 58.8 m-85 -97.21 101.16 12.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.047 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -89.06 144.43 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.355 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 tp -100.81 128.49 46.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.784 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.403 ' HA ' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -135.04 176.27 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 17.6 tp -106.63 113.19 26.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.481 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -152.75 -179.58 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.178 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 127.63 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.586 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 143' ' ' GLU . 7.0 tp10 -94.11 166.1 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 4.5 t70 -79.51 16.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.525 ' H ' ' HG3' ' A' ' 141' ' ' GLU . 28.2 mt-10 -160.84 121.9 2.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.88 -22.64 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.62 20.43 50.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.374 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 143' ' ' GLU . 3.4 t0 -83.15 124.93 30.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.805 0.336 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.11 -31.06 60.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.303 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.6 m -53.93 -30.04 44.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 18.9 pt -104.05 17.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.2 mtm -123.7 126.61 46.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.68 177.98 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 136.45 52.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.9 t -126.93 120.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.11 161.94 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.788 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -91.01 133.78 35.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.33 159.27 24.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -86.44 129.07 34.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.99 -58.0 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -175.67 145.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.29 135.1 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.37 -177.04 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.85 120.49 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.42 135.54 53.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.488 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.39 126.73 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.17 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.0 mt -108.99 114.46 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -117.3 162.59 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 45.3 p30 -107.67 -162.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.95 -28.11 62.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.084 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.58 11.46 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.544 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 t70 67.18 31.36 6.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.72 137.22 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.794 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.46 140.8 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -68.7 119.7 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.19 153.15 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.026 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 8.7 mm -92.78 150.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -109.69 178.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.55 -20.52 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.05 22.24 29.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.696 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.0 32.59 21.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.8 134.49 23.04 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.17 94.88 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.621 2.214 . . . . 0.0 112.436 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.88 134.23 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.702 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE1' ' CD1' ' A' ' 20' ' ' LEU . 98.5 m-85 -83.85 125.97 32.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.52 174.73 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.676 0.274 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 5.9 m-85 -77.9 152.15 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.996 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.29 153.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.21 118.33 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.982 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.78 122.93 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.994 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtm -94.82 128.69 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' HD13 ' A' ' 92' ' ' ILE . 22.3 m-85 -96.81 150.38 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -87.39 103.62 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.662 -0.175 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -99.45 125.53 45.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.13 114.43 19.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.3 170.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -150.99 119.14 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.08 130.59 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 142.47 30.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' HB ' ' CD1' ' A' ' 47' ' ' PHE . 10.9 p -101.86 136.39 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -126.85 137.21 53.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.326 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t 178.8 -78.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -28.19 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.173 0.511 . . . . 0.0 109.91 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 123.64 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.078 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.6 118.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.423 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -128.84 148.15 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.816 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -121.14 133.45 55.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 16.2 tp -67.84 102.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 p -110.38 146.83 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -115.99 104.84 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.85 -101.45 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -97.82 -70.71 0.71 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.979 0.418 . . . . 0.0 110.629 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -6.61 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.92 171.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.9 mm -117.96 132.4 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -143.79 151.65 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 22' ' ' ILE . 30.2 m-85 -94.66 121.25 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.42 114.31 28.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.78 97.96 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.657 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -172.02 134.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -72.79 143.98 85.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.17 132.29 51.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 112.162 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.37 174.15 13.3 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.456 2.104 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.18 -37.08 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.754 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.88 113.88 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' TYR . 35.6 mt -98.24 124.96 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -52.35 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.712 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 158.07 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -86.53 -23.05 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 105.33 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.87 156.0 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -63.38 -26.26 68.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.7 pt -88.6 -32.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 135.37 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CZ ' HD12 ' A' ' 125' ' ' LEU . 13.7 m-85 -129.33 150.42 50.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.807 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.61 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -74.73 132.94 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -136.04 116.1 13.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -58.89 150.04 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.245 -179.84 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 t30 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -105.37 168.97 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.63 156.17 43.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.028 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.3 124.27 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -88.25 100.69 13.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 36.0 tt0 -88.8 158.68 18.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.16 148.19 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.5 p -63.04 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 1.9 t -66.85 -67.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 2.4 p90 -155.01 -170.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.09 24.73 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.461 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -78.36 -11.04 85.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -149.95 145.35 26.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 140' ' ' LYS . 24.0 m-85 -135.2 139.36 44.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 6.8 mt -63.49 114.3 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.797 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.44 175.97 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 18.3 t -112.34 142.42 44.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.22 128.17 47.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 99.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.47 109.54 20.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 57.49 -112.94 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -109.69 17.53 21.18 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.513 0.197 . . . . 0.0 111.409 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.4 mt -135.58 144.73 46.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.991 0.424 . . . . 0.0 111.537 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -96.78 100.74 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.123 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.89 132.08 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.007 0.432 . . . . 0.0 111.805 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 151' ' ' PHE . 4.3 tp -85.8 137.88 32.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.573 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.92 -179.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.97 119.68 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -157.3 175.35 14.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -118.79 101.42 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.41 170.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.79 -30.72 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.53 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.49 123.85 41.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.504 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.08 -22.8 65.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.07 30.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.217 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.65 123.06 33.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -25.56 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 p -54.39 -29.2 48.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 21.3 pt -106.73 15.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.432 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 7.0 mtt -111.98 132.18 54.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 136' ' ' LEU . 59.2 m-85 -118.66 173.11 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.3 129.39 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.86 129.93 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -123.87 161.9 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.11 131.87 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 151.62 23.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -73.24 117.84 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.42 -53.11 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -176.34 127.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.43 120.54 41.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -142.75 177.28 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 mt -102.29 117.59 35.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -123.56 134.45 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.639 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 t -81.13 135.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.26 128.59 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -135.69 161.94 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.45 -165.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.368 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.41 -28.53 65.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.69 11.94 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.47 21.35 12.44 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.33 128.78 41.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.236 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.25 139.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.294 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.51 137.68 57.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.46 156.64 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 12.7 mm -99.07 144.03 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.681 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.4 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -57.33 -22.03 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.16 24.97 29.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.576 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 44.78 30.42 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.486 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.96 139.18 21.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 94.99 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.458 2.105 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -107.27 153.5 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.69 125.04 47.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.74 174.74 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.425 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 2.6 m-85 -77.93 144.94 36.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -68.99 133.92 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.1 mm -111.02 114.61 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.07 125.14 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 mtm -99.95 122.13 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.761 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 92' ' ' ILE . 17.7 m-85 -96.01 144.06 26.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -75.73 120.3 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.552 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.89 113.86 25.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.856 0.36 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 110.06 15.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.999 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.33 170.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.1 p -150.22 117.09 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.04 129.47 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 128.74 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.35 139.89 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -129.14 133.73 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.276 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.05 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -26.77 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 0.0 109.854 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.32 123.51 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.126 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.73 118.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.341 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.68 132.5 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.2 m -118.62 135.39 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 106.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -118.65 133.46 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.1 p -95.45 101.56 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.49 -152.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -40.28 -31.96 0.16 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 111.722 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -77.77 162.42 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.9 mm -101.5 137.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -156.69 137.67 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -76.28 98.1 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.43 118.66 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.05 97.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.7 ptm -177.75 138.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -72.97 139.97 80.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 130.04 37.2 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.462 2.108 . . . . 0.0 112.23 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.51 157.84 57.73 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.36 2.04 . . . . 0.0 112.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.78 -38.1 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.41 98.56 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.409 HD11 ' CE2' ' A' ' 52' ' ' TYR . 19.7 mt -82.81 127.81 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -33.09 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.96 158.15 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -86.96 -16.41 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 101.1 4.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 162.65 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.72 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.39 -20.44 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -96.02 -28.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.376 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.85 137.17 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.259 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -129.43 150.75 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.39 91.96 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.282 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.04 119.91 34.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.552 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.3 tpt180 -143.52 146.46 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.119 0.485 . . . . 0.0 111.03 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -55.93 142.61 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.97 160.51 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 16.7 mmt -124.12 153.53 41.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.35 129.01 49.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.554 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 25.0 m-85 -96.36 115.05 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.912 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 26.8 tt0 -112.01 158.82 19.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 140.33 55.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.838 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.9 p -58.44 -47.51 83.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -160.09 179.34 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.33 -175.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.08 -26.6 22.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -134.9 116.05 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 44.8 m-85 -119.29 144.34 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.745 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 5.2 mt -66.85 138.76 57.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.558 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -145.03 -177.05 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 15.1 p -117.98 112.5 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.8 129.71 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.61 104.01 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.44 102.34 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 60.63 -110.6 0.45 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.599 0.238 . . . . 0.0 111.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.94 141.04 40.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 111.289 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -98.36 100.25 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.371 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -87.87 123.84 33.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tp -70.12 138.56 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.35 -179.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.52 113.87 27.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.637 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -149.01 174.54 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.08 100.87 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.36 178.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.7 -27.49 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.88 132.82 49.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.0 -24.05 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.57 23.21 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.347 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.51 121.63 27.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.743 0.306 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -25.68 44.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.269 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.6 m -54.76 -32.58 60.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.931 0.396 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 21.9 pt -102.31 16.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.048 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 10.5 mtt -111.05 122.34 47.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 3.1 m-85 -110.26 167.77 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.37 132.34 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.4 144.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -135.14 161.94 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.35 133.16 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.82 150.47 22.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -76.3 108.54 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.01 -58.49 3.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -174.97 130.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -106.96 124.59 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -150.9 -176.96 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.26 125.24 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 129.65 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.64 140.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -120.73 115.69 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -108.21 165.72 11.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -108.79 -169.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.31 -23.96 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -90.31 11.52 21.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.362 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t0 68.65 28.99 5.55 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 111.028 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -92.41 -176.3 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.99 134.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 111.161 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 12.5 tp -71.59 125.38 26.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -145.97 160.56 41.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 11.0 mm -91.62 145.57 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -106.14 -175.85 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.5 -20.53 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.47 18.52 44.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 57.74 38.71 27.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -106.79 139.69 20.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 96.33 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.549 2.166 . . . . 0.0 112.399 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.78 140.49 48.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 79.1 m-85 -95.33 129.18 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.62 140.64 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 120.586 0.232 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 1.9 m-85 -77.9 159.53 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.253 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.67 142.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mm -117.14 120.68 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.54 116.95 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.782 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtm -89.22 124.88 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' HD13 ' A' ' 92' ' ' ILE . 36.3 m-85 -99.92 145.35 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -81.55 117.71 22.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.68 -0.168 . . . . 0.0 112.68 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 ttp -86.07 116.88 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 112.65 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.39 168.89 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.16 116.25 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mp -89.02 130.84 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.12 131.01 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.44 141.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -135.75 139.97 43.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -75.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.784 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 123.8 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.253 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.02 120.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.299 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -136.88 147.03 46.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 m -123.44 144.84 49.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.2 tp -77.96 118.22 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 p -128.16 135.75 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.7 p -104.33 101.59 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -95.96 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -97.85 -76.59 0.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.924 0.393 . . . . 0.0 110.536 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -6.8 9.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.981 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.72 167.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.9 mm -102.99 139.96 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 p -143.74 150.07 38.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CE2' HD13 ' A' ' 22' ' ' ILE . 11.1 m-85 -100.94 123.54 45.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 118.97 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.7 99.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 ptm -176.67 127.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -63.0 153.08 82.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 132.61 30.66 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.55 2.167 . . . . 0.0 112.268 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.12 171.32 15.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.555 2.17 . . . . 0.0 112.375 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -97.05 -42.82 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -128.46 125.89 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' TYR . 47.7 mt -109.99 143.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 13.78 23.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.75 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -128.28 143.47 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.778 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 -1.73 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.561 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.3 100.02 0.51 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.81 170.84 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -71.35 -21.38 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 pt -93.73 -30.0 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -59.81 135.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -129.69 138.37 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.54 100.23 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -85.82 137.89 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.44 120.78 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.438 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 1.6 m -54.28 167.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.895 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -105.69 152.48 23.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.146 0.498 . . . . 0.0 111.319 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.438 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -141.78 167.81 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.169 -179.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -132.04 137.34 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -96.99 111.44 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -107.15 157.42 17.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.4 t -68.3 153.29 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.5 p -66.34 -42.45 88.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -57.49 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.07 -178.16 6.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.98 -175.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.681 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.64 -21.78 29.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.691 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.34 127.38 17.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.8 0.333 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 9.4 m-85 -122.02 140.17 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.93 110.34 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.22 177.46 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.3 p -120.4 132.36 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 126.8 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 0.4 OUTLIER -85.24 106.57 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -121.18 115.45 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 59.94 -117.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -109.62 17.51 21.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.309 -0.245 . . . . 0.0 111.246 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.98 142.86 50.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.068 0.461 . . . . 0.0 111.455 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -102.27 100.33 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.958 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 166.3 18.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.348 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.78 138.13 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.12 175.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.6 tp -104.54 109.2 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.602 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.91 176.08 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 99.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.47 178.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.799 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.88 -26.32 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.6 130.55 34.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.89 -23.37 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.95 19.74 50.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.288 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.91 121.69 27.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.672 0.273 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.56 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -55.94 -28.46 57.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 20.8 pt -108.61 13.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 9.4 mtm -112.73 134.99 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -124.47 176.99 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.15 128.28 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.65 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.73 118.04 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 161.3 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.05 125.59 37.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 95' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.792 0.33 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.66 164.81 28.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -86.11 117.94 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -86.77 -57.48 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -171.63 143.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -110.07 121.09 44.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -144.85 176.18 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -101.45 148.11 25.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 m -143.17 140.11 30.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.436 ' HA ' HD11 ' A' ' 46' ' ' ILE . 95.8 t -85.77 104.06 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -87.57 110.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -111.41 158.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.42 -167.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.07 -24.95 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.23 11.58 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.324 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.4 29.83 3.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -92.85 -175.2 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.84 133.41 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD12 ' CE2' ' A' ' 30' ' ' PHE . 13.6 tp -64.79 142.82 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.52 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.43 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 9.3 mm -104.99 145.6 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.94 -177.83 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -20.19 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.12 19.28 38.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.742 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 t30 57.87 47.54 15.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -108.92 132.86 20.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD3' ' CE1' ' A' ' 83' ' ' PHE . 71.7 Cg_endo -76.59 100.15 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.477 2.118 . . . . 0.0 112.174 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.73 145.39 49.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.037 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 20' ' ' LEU . 86.0 m-85 -99.35 123.51 43.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -135.88 157.63 46.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.517 HG12 ' H ' ' A' ' 47' ' ' PHE . 4.0 tt . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.517 ' H ' HG12 ' A' ' 46' ' ' ILE . 43.7 m-85 -77.84 128.04 33.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.9 mp -74.05 131.37 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.0 mm -115.59 121.61 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -108.86 122.21 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mtm -92.41 128.76 38.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -97.01 155.7 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -89.57 111.39 22.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.41 112.06 24.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.72 104.39 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -129.55 170.45 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.273 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.45 116.66 9.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.772 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.11 134.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' OG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 t -148.03 146.49 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 p -102.18 137.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -131.12 140.63 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 111.346 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.56 -79.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.46 -26.95 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 109.848 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.84 123.08 4.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -65.82 121.82 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.336 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.09 129.6 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.791 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.464 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 26.5 m -101.75 138.81 38.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 18.4 tp -66.58 103.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.681 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.77 125.87 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.1 p -101.7 103.26 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.08 -101.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -98.15 -69.47 0.76 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.888 0.375 . . . . 0.0 110.51 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -6.73 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.173 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 mt -106.95 164.43 4.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.858 0.361 . . . . 0.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -110.09 131.78 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 p -139.12 135.78 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 12.3 m-85 -82.36 113.8 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.77 128.57 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.94 97.91 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.7 ptm -173.99 129.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.98 155.73 70.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.79 120.6 7.8 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.505 2.136 . . . . 0.0 112.162 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.55 176.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.364 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -109.14 -30.71 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.767 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -155.91 92.02 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -75.58 126.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -54.15 48.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.06 158.13 23.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 2' ' ' PHE . 46.5 p -86.54 -21.08 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.56 103.29 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.82 161.83 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -69.07 -19.78 64.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 pt -97.67 -29.74 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mm -59.09 143.32 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -132.81 152.29 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -112.1 94.0 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.15 135.38 39.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -139.15 116.96 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.0 p -60.56 163.49 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -79.8 164.43 23.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -138.07 164.39 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -137.91 133.75 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.519 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 27.7 m-85 -95.26 126.78 40.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 30.0 tt0 -116.01 158.84 22.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 t -65.52 139.81 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -59.35 -36.33 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -60.88 -69.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -160.02 -178.42 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -176.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.71 -25.34 15.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.54 142.7 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 13.5 m-85 -139.27 160.35 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 10.9 mt -70.46 131.61 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.71 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -137.49 167.85 20.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 p -113.76 125.54 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.19 126.89 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.76 103.25 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.85 117.07 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 59.37 -117.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.58 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.56 17.51 21.29 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.337 -0.227 . . . . 0.0 111.421 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.8 mt -133.94 144.16 48.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -101.71 100.34 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.998 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 170.92 14.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.7 134.33 53.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.686 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.72 174.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.195 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 17.8 tp -99.29 106.32 18.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.58 169.03 18.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 98.9 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.44 176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -31.33 39.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.66 123.7 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.67 -24.41 64.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.06 24.81 26.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -87.62 123.85 32.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -24.14 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 p -54.84 -29.02 54.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.7 pt -109.93 13.13 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.429 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 6.1 mtm -111.89 133.01 54.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.599 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -125.03 174.61 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 140.73 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.4 t -129.55 118.56 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -112.19 161.94 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -89.42 133.78 34.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 9.1 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.681 0.277 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.16 161.41 32.0 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.759 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.57 134.89 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.71 -49.75 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -177.1 142.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -109.74 127.73 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 -177.68 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.8 mt -107.95 124.5 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.67 133.83 47.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.25 133.32 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.5 mt -115.29 108.32 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.049 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -101.9 156.8 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.79 -172.86 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.18 -30.58 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.97 11.48 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.364 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.58 29.9 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -102.16 136.03 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.03 136.83 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 30' ' ' PHE . 19.5 tp -67.92 145.95 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -156.55 166.83 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 47' ' ' PHE . 7.7 mm -101.09 150.35 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -176.33 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -61.56 -19.46 62.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.49 14.49 56.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.723 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 55.76 69.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -141.12 141.68 24.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.9 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.49 2.127 . . . . 0.0 112.319 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.44 137.18 52.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 20' ' ' LEU . 32.2 m-85 -87.57 124.57 33.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -136.91 166.95 22.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.622 0.249 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CE2' HG12 ' A' ' 22' ' ' ILE . 52.3 m-85 -78.19 166.32 22.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.063 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -97.63 123.64 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.575 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.9 mm -98.12 125.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.351 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -108.02 107.59 18.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.797 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.5 mtm -80.97 133.45 35.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 98.1 m-85 -107.44 162.55 13.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.89 120.91 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.731 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 ttm -97.14 112.16 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.46 112.27 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.68 170.59 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.512 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.66 121.24 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.29 121.41 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 136.71 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 13.7 p -92.9 136.3 25.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -131.83 137.76 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.314 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 -78.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.831 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 -27.88 13.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.591 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.69 127.91 10.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.925 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.73 118.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.444 . . . . 0.0 111.295 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 m -133.23 144.42 49.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 m -122.78 133.1 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.04 116.84 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -123.07 128.73 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.0 101.47 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -155.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.61 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -42.54 -30.42 0.35 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.534 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.0 142.85 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 137' ' ' ILE . 36.1 mm -90.26 127.35 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.5 p -147.71 141.15 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -81.38 116.79 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.6 133.05 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.57 100.31 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -178.01 129.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -66.87 148.62 98.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 127.08 24.47 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.456 2.104 . . . . 0.0 112.214 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.67 155.43 59.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.438 2.092 . . . . 0.0 112.209 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -91.2 -29.81 17.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.593 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -159.69 102.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.0 mt -81.05 150.96 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -81.63 -30.46 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.97 158.11 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -85.78 -12.28 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.409 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 101.7 3.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.82 172.67 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -75.7 -18.13 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 pt -95.76 -30.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.443 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 44.1 mm -59.24 140.58 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -131.49 146.22 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 5.6 m-85 -103.54 93.47 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.425 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 24.8 tt0 -94.22 115.66 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.412 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 7.9 tpt180 -138.7 145.81 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 111.191 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.98 143.94 46.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.009 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.62 156.53 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 17.7 mmt -126.43 151.79 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -123.45 130.05 52.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 8.0 m-85 -96.56 111.51 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.762 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -110.6 158.56 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -67.8 148.81 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.424 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 91.0 p -63.49 -41.36 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 13.2 t -59.21 -76.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CG ' ' O ' ' A' ' 119' ' ' SER . 94.7 m-85 -157.51 -176.15 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.06 -174.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.46 -14.94 57.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.726 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.19 117.07 8.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 20.6 m-85 -119.51 141.64 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 127.11 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.14 174.06 10.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.74 118.31 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.798 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.26 128.26 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 107.79 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -121.3 102.5 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 61.38 -113.4 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.52 17.54 21.28 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.599 0.238 . . . . 0.0 111.25 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -136.76 139.83 42.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.409 . . . . 0.0 111.217 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.91 100.83 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.239 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.88 123.47 32.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.96 137.66 45.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.403 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -146.38 -179.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 8.9 tp -113.89 112.73 23.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.427 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.02 176.89 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.322 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.56 93.48 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -60.62 173.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -28.35 39.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.47 123.64 41.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.94 -22.86 62.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.14 22.43 36.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.222 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.89 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -26.06 61.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -54.85 -28.43 49.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 23.6 pt -105.51 11.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.498 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 24.0 mtt -106.18 148.2 28.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.724 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -129.93 171.68 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.18 130.68 52.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 12.8 t -115.27 143.44 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.37 161.97 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.23 131.33 34.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 123.03 1.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.416 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tpmt? -59.44 118.59 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -81.78 -55.99 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -176.73 142.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.19 123.79 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -146.81 158.8 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.99 123.69 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.3 135.49 48.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.7 t -81.56 130.24 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -108.74 112.74 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 169.85 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 49.3 p30 -122.27 -163.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.62 -26.84 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.45 11.51 19.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.419 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 63.95 31.57 13.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -107.46 141.88 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.58 138.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD12 ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -63.93 131.99 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.8 157.19 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 9.9 mm -99.7 141.04 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -105.97 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.22 -23.47 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.42 30.82 8.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 44.93 34.5 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.796 0.332 . . . . 0.0 111.437 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 137.38 22.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.11 97.61 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.531 2.154 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.29 134.58 54.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.715 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 14' ' ' ASN . 93.9 m-85 -83.79 132.46 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -137.98 140.72 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -77.78 146.93 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.944 -179.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -72.01 157.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.4 mm -128.84 121.36 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 114.32 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mtm -88.64 129.46 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.415 ' CE1' ' HE3' ' A' ' 4' ' ' LYS . 13.4 m-85 -102.77 157.11 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.043 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -98.9 115.34 28.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.589 -0.205 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 ttm -74.44 117.1 15.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 118.36 21.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -142.29 169.63 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.9 p -147.5 112.45 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 mt -83.86 136.82 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.48 138.66 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.105 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.84 143.82 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.582 ' HD3' HD12 ' A' ' 71' ' ' ILE . 17.3 mttt -135.49 136.38 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.528 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t 179.12 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.851 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -102.18 -26.52 13.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.931 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 125.07 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.121 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.582 HD12 ' HD3' ' A' ' 67' ' ' LYS . 18.3 mt -64.76 109.33 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.43 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -119.0 145.11 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -117.95 139.88 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 83' ' ' PHE . 65.0 tp -77.07 109.55 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -121.78 145.61 47.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 27.3 p -109.24 114.96 29.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -100.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.03 -67.77 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.398 . . . . 0.0 110.613 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -6.52 7.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.4 mt -107.4 169.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.9 mm -108.59 148.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.07 162.26 39.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 74' ' ' LEU . 9.6 m-85 -104.83 118.6 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.44 108.63 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.99 97.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.696 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -171.18 136.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -68.93 152.19 96.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 132.29 31.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.63 174.96 11.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.365 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -104.92 -47.46 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.4 mt -85.91 141.72 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -32.09 40.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -86.29 149.73 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -12.19 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 100.16 3.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.88 152.73 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -59.54 -24.84 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -88.62 -30.76 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.44 128.92 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.02 146.66 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 7.4 m-85 -105.39 91.33 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -75.12 132.36 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -136.68 120.34 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.4 158.55 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.76 164.53 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -138.82 165.52 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.8 121.98 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.505 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 34.6 m-85 -86.03 120.77 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 4.5 tt0 -105.01 158.83 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 139.31 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 5.9 p -60.48 -42.24 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 t -58.63 -67.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.06 -179.54 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.67 -175.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.82 -45.82 1.26 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.04 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 7.6 m-85 -122.44 150.37 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 5.6 mt -67.31 135.93 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -146.91 160.76 41.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.34 131.45 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.1 132.76 51.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.416 ' NZ ' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -79.46 131.53 36.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.52 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.416 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 6.4 mt-10 -144.9 95.99 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.416 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 83.6 mtt180 61.71 -105.85 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.369 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -110.2 17.49 20.9 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 122.244 -0.285 . . . . 0.0 111.695 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.3 mt -138.91 139.55 38.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.154 0.502 . . . . 0.0 111.917 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 129' ' ' LYS . 6.6 m-85 -102.99 100.15 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.326 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -81.79 171.11 14.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.542 -178.726 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.74 134.73 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -179.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.59 118.38 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -153.92 177.77 10.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 111.076 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 101.7 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.698 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.53 171.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -29.77 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.8 125.41 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.501 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.8 -22.3 66.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.019 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.39 21.25 43.72 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.212 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -86.73 121.1 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -25.96 33.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.7 p -54.28 -30.16 49.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 22.6 pt -107.49 15.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.01 135.84 50.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.6 171.5 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.68 140.62 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.98 135.56 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 161.84 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.56 132.49 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.739 0.304 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.8 165.29 26.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -97.83 114.64 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.65 -59.03 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -172.65 142.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 t -112.16 130.56 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 176.56 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.46 126.18 39.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.36 129.53 47.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.48 128.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.7 mt -111.44 116.02 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.088 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -112.63 155.16 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.66 -167.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 147' ' ' ARG . 3.0 mm? -68.67 -31.43 70.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -89.81 11.5 19.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.38 32.85 2.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -100.32 131.81 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.23 138.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 30' ' ' PHE . 21.4 tp -77.14 114.98 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.65 158.81 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG12 ' CE1' ' A' ' 47' ' ' PHE . 9.3 mm -89.01 147.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.69 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.32 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.66 -19.72 59.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.86 18.9 36.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.691 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 56.99 64.31 1.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.935 0.398 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.4 mtt85 -133.79 134.59 23.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 27' ' ' ARG . 9.3 Cg_exo -71.97 105.48 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.646 2.231 . . . . 0.0 112.185 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -127.15 133.84 50.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -87.31 133.63 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -158.29 162.15 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.636 0.255 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -77.99 160.92 27.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.289 -179.356 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.34 139.85 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -115.09 133.43 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -116.08 124.13 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 mtm -97.59 124.52 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.23 152.39 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.97 103.54 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -89.03 118.85 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.0 104.92 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 m -133.71 166.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 p -148.52 132.5 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mp -99.48 138.99 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.22 137.98 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.43 144.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -132.26 145.84 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.031 0.444 . . . . 0.0 111.353 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.74 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -25.82 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.835 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.76 124.76 4.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.202 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -68.04 122.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.3 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -132.1 148.68 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.3 m -129.33 140.22 51.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.8 tp -68.75 103.02 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 130.66 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.55 105.01 14.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -54.69 -100.09 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -97.96 -69.17 0.77 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.941 0.4 . . . . 0.0 110.712 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -6.59 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.282 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.94 172.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.11 139.37 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 m -149.01 139.72 22.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' A' ' 22' ' ' ILE . 22.0 m-85 -84.28 115.17 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -98.41 125.53 43.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.56 97.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -175.17 147.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -79.47 154.85 76.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.95 120.88 8.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.59 2.193 . . . . 0.0 112.174 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.27 154.79 60.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.379 2.053 . . . . 0.0 112.31 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -96.26 -24.98 15.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.93 87.26 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 92' ' ' ILE . 26.7 mt -69.99 148.18 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 35.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -148.34 153.42 38.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -85.6 -5.48 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 100.01 1.72 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.95 150.62 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -60.41 -22.13 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.24 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.6 pt -92.7 -29.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.7 141.67 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -132.12 153.09 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.41 96.45 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.175 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.5 129.9 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.747 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.7 120.63 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.1 p -56.03 166.88 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.788 0.328 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.0 154.19 42.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -134.49 168.3 19.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -140.6 126.68 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -88.1 119.85 28.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tm-20 -108.62 158.74 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 135.56 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -58.78 -40.68 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 0.1 OUTLIER -60.62 -72.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 21.8 p90 -160.05 179.73 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.0 -174.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 -27.71 18.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -132.52 109.95 10.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 5.5 m-85 -114.4 146.41 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.4 121.72 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.682 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.65 167.16 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.08 134.65 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -108.45 136.58 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -87.02 108.74 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -123.25 107.96 12.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 59.61 -114.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -109.5 17.58 21.24 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.557 0.218 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -131.34 137.58 48.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.464 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 32.1 m-85 -98.22 100.23 11.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.731 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.31 169.86 16.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.34 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.1 tp -129.58 132.07 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.73 178.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.96 111.08 23.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.597 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.6 177.06 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.25 100.08 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.48 171.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.96 -30.36 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -125.6 125.23 42.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.423 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.6 18.87 55.58 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.322 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.03 125.19 31.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.468 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.44 -25.79 51.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.143 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' SER . . . . . 0.411 ' N ' ' HD3' ' A' ' 147' ' ' ARG . 2.8 p -55.74 -26.59 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 18.4 pt -108.62 13.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.451 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 8.7 mtm -117.85 148.16 42.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 2.4 m-85 -137.91 177.83 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.44 131.76 54.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.715 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.99 134.89 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -134.08 161.88 33.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.67 132.26 34.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 2.1 t80 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -159.91 179.96 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.268 -0.968 . . . . 0.0 113.007 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.05 132.0 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 111.238 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.48 -48.65 7.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.643 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -177.28 137.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 132.24 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -149.24 163.88 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.5 122.99 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 46' ' ' ILE . 3.8 m -126.9 136.77 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.13 137.02 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.52 112.29 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.337 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -116.4 145.64 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.699 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.457 ' ND2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 t-20 -85.64 -168.46 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.48 -27.26 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -89.91 11.61 19.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 71.51 36.67 1.25 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -110.51 129.54 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.03 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.45 148.42 37.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.82 164.69 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 HG12 ' CE2' ' A' ' 47' ' ' PHE . 15.4 mm -100.34 151.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.801 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -114.74 -179.27 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.81 -20.38 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.06 22.08 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.4 m120 58.34 31.85 21.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.36 132.87 29.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.07 97.46 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.384 2.056 . . . . 0.0 112.42 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.74 141.07 48.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CZ ' ' ND2' ' A' ' 14' ' ' ASN . 66.2 m-85 -87.09 133.69 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -137.32 170.61 15.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.455 ' CE2' HG12 ' A' ' 22' ' ' ILE . 49.7 m-85 -78.04 129.42 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.06 131.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.41 108.45 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.19 110.08 22.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 mtm -81.06 131.03 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 2' ' ' PHE . 8.8 m-85 -102.53 149.03 24.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -77.59 119.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.5 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.9 ttp -70.81 120.93 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.778 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.76 116.5 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.87 170.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.24 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.38 109.29 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' CG2' ' CB ' ' A' ' 47' ' ' PHE . 1.7 mp -82.67 125.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.81 139.43 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 11.8 p -97.66 136.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -125.21 137.54 54.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.362 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 t 178.8 -83.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.04 -32.64 16.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 123.68 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.549 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.4 118.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.225 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 m -126.25 137.9 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 m -114.47 138.84 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' A' ' 83' ' ' PHE . 11.0 tp -74.39 120.87 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -123.53 141.45 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.04 101.54 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.92 -154.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -40.79 -31.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.612 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.52 -33.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mt -74.66 148.38 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.886 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 137' ' ' ILE . 35.9 mm -102.67 137.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -152.09 145.93 25.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.419 ' CE1' HD11 ' A' ' 74' ' ' LEU . 24.6 m-85 -88.93 105.39 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.76 123.5 31.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 100.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -177.75 124.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -63.01 151.13 86.75 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.88 133.4 41.45 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.451 2.1 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.18 160.54 32.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.519 2.146 . . . . 0.0 112.441 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.1 -30.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -141.93 124.59 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.7 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.421 HD12 ' CE2' ' A' ' 52' ' ' TYR . 6.7 mt -108.57 131.04 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -38.54 67.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.985 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -105.08 158.14 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -17.72 41.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 100.01 5.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.98 165.42 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -66.75 -16.69 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 pt -99.91 -29.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 111.28 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.03 139.16 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE2' HD22 ' A' ' 74' ' ' LEU . 49.6 m-85 -132.04 155.24 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.785 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.89 102.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -86.77 131.92 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.13 121.44 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.35 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.1 151.07 19.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.835 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.577 0.227 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.07 153.73 17.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.969 0.414 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.23 163.61 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.96 137.11 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -97.09 114.03 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.1 tt0 -108.41 150.95 26.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.94 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -60.12 -32.72 71.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.68 -70.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -160.04 173.17 16.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -175.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.52 -45.95 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -115.57 130.66 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 18.6 m-85 -127.98 141.54 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.95 108.32 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.42 -175.29 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.207 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.32 132.21 56.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.97 125.23 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -78.93 95.61 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.687 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.55 110.09 21.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 60.69 -114.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.61 17.43 21.33 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 122.345 -0.222 . . . . 0.0 111.427 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 mt -136.07 139.78 43.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.96 0.409 . . . . 0.0 111.428 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -97.94 100.24 11.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.91 179.247 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -82.62 170.91 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.65 119.91 37.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.4 ' HA ' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -129.26 176.5 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.49 108.47 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.456 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.29 175.67 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.04 98.78 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.652 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.31 175.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.8 -32.39 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -117.33 123.21 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.813 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.3 -25.24 64.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.061 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.22 17.11 58.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -78.87 119.11 21.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -25.54 11.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 m -53.95 -38.33 64.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.08 13.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.308 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 14.4 mtm -116.69 126.99 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.655 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -113.13 177.14 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.63 130.0 54.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.815 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.2 t -119.72 127.22 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.046 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.96 161.84 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.92 133.04 33.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.817 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.65 171.53 36.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.767 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 133.33 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -92.37 -57.35 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -169.73 133.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -101.08 132.25 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -149.75 175.64 11.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.84 126.62 50.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 46' ' ' ILE . 1.8 m -128.81 140.54 51.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.479 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.07 137.89 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.8 mt -113.93 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.121 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.43 153.22 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.92 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -110.82 -173.7 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.015 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -57.79 -24.81 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.268 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.92 11.31 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 59.09 25.66 14.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.671 0.272 . . . . 0.0 111.302 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.81 -163.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.42 133.58 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 19.7 tp -59.5 149.86 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.6 164.96 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 111.067 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.6 mm -99.36 148.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -111.03 171.49 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.0 -25.7 5.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.94 38.24 3.38 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 44.91 35.81 1.66 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.48 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.27 129.09 38.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.82 103.09 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.387 2.058 . . . . 0.0 112.215 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mt -118.27 139.43 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.963 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 32.3 m-85 -94.84 119.38 33.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -148.46 153.18 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CG1' ' H ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' H ' ' CG1' ' A' ' 46' ' ' ILE . 62.3 m-85 -78.09 149.4 33.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 110.779 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.19 128.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.23 115.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.47 110.21 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.99 125.93 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.79 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 32.7 m-85 -98.54 158.63 15.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -79.53 120.36 23.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 114.19 28.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.761 0.315 . . . . 0.0 111.032 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.71 17.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.79 170.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.573 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.5 p -142.05 118.09 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.1 125.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 133.76 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 14.5 p -93.47 144.27 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -136.46 136.79 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.402 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.9 t 176.76 -79.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.21 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -94.2 -28.3 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.118 0.485 . . . . 0.0 110.008 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 123.08 2.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.8 mt -63.34 121.69 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.379 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.33 133.1 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.6 m -114.96 139.24 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 83' ' ' PHE . 7.0 tp -71.2 105.39 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.777 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -111.34 132.44 54.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.9 p -100.67 101.56 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.817 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -43.7 -30.37 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.817 0.342 . . . . 0.0 111.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 -32.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mt -78.53 147.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 137' ' ' ILE . 31.6 mm -99.51 138.71 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -159.14 140.01 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 74' ' ' LEU . 12.0 m-85 -78.28 101.3 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -81.27 123.46 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.73 97.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -177.21 132.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -75.53 146.39 80.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.85 132.76 48.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.495 2.13 . . . . 0.0 112.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 159.48 44.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.401 2.067 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.33 -42.19 26.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.55 120.12 9.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.725 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -93.22 147.07 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -34.11 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.58 151.47 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -79.98 -17.58 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 101.73 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 170.94 9.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.758 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -74.53 -23.32 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -92.89 -28.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.246 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.3 mm -59.68 138.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -131.77 147.12 52.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.427 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 3.0 m-85 -105.25 94.57 5.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 5.9 tt0 -94.32 112.72 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.74 151.71 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.5 p -70.39 134.52 47.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.138 -179.793 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.944 0.402 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -99.66 174.43 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 137.36 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.26 140.25 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.805 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.446 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 10.4 m-85 -103.16 113.68 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 12.5 tt0 -110.45 158.93 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.68 139.14 51.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 1.4 t -57.31 -26.59 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.128 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.39 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -160.76 84.63 0.69 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.582 0.23 . . . . 0.0 111.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.98 -171.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.242 0.544 . . . . 0.0 111.642 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.96 -27.24 21.08 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.416 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . 0.402 ' HB3' ' CG ' ' A' ' 138' ' ' LEU . 17.6 m-85 -149.47 124.83 10.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 43.2 m-85 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 8.3 mt -73.31 117.95 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.31 -179.79 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.88 143.47 45.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.39 124.88 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.425 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.3 95.55 7.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.83 105.17 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.683 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 61.82 -113.44 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -109.69 17.55 21.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.583 0.23 . . . . 0.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.43 140.5 44.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.989 0.423 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -98.47 100.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.87 130.54 34.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 111.351 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.32 127.96 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.42 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -136.8 176.75 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 12.5 tp -108.45 109.55 20.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.912 0.386 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.27 -176.71 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.04 100.14 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 169.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.92 -30.45 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.2 123.36 40.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.31 -22.64 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.25 23.88 31.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.141 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.25 122.55 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -56.14 -25.43 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -54.39 -28.85 46.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 20.9 pt -105.86 15.37 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -113.1 145.47 40.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -134.43 170.5 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 133.85 54.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.33 125.71 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.76 162.11 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.51 131.69 34.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 121.144 0.497 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 1.7 t80 -50.38 169.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.764 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.98 155.2 26.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.8 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -84.57 134.79 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -93.7 -55.05 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -175.18 136.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -103.25 129.52 50.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -155.02 160.84 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.19 135.68 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 m -138.99 134.45 33.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.646 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.54 125.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.99 105.38 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.25 155.51 17.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -99.3 -168.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.15 -30.75 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.743 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.11 11.58 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 t70 74.87 38.03 0.48 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.922 0.391 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.19 135.44 47.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.68 135.43 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' CE1' ' A' ' 30' ' ' PHE . 8.7 tp -60.94 136.43 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.65 162.26 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 6.5 mm -113.54 154.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.0 m-20 -122.18 -177.11 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -57.08 -22.06 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.15 24.54 31.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 45.26 32.86 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.466 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -94.64 134.22 25.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 94.87 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -102.16 -178.97 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CE1' HD12 ' A' ' 20' ' ' LEU . 10.0 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.39 174.71 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.5 138.72 36.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.7 mtm -145.74 125.95 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 p -74.93 -54.9 6.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.93 22.22 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -97.51 -62.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -95.55 -34.07 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.8 t -76.8 -10.99 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.269 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -47.77 -36.61 11.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.52 87.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.68 48.35 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.05 135.05 84.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.11 -52.65 5.41 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.457 2.104 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -57.23 152.92 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -149.02 126.8 11.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.28 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 3.6 m-85 -77.95 164.54 25.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 111.278 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.39 145.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.184 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.3 mm -121.5 117.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -101.38 117.63 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mtm -88.88 131.56 35.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 71.1 m-85 -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 tptp -81.86 116.91 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.14 130.3 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -97.59 59.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.1 154.03 39.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.05 -38.95 89.73 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.607 2.205 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.1 102.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.33 117.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.56 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.19 112.63 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.43 170.14 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.9 p -151.92 121.4 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.91 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.7 p -143.83 123.2 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.1 p -89.56 129.32 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 126.71 49.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.2 t 179.31 -82.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.341 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.83 -30.2 21.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.32 122.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.981 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.52 119.98 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.464 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -136.35 128.71 30.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 m -102.13 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 15.3 tp -72.85 121.16 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 p -132.81 128.13 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.13 103.2 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -97.73 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -70.23 0.73 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -7.62 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.257 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.92 167.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.2 mm -103.47 137.58 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 p -140.88 140.18 34.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 10.0 m-85 -93.53 114.24 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -96.79 119.37 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.34 97.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -179.9 137.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.13 150.32 97.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.98 125.1 17.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.498 2.132 . . . . 0.0 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.06 159.7 17.7 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.417 2.078 . . . . 0.0 112.311 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.7 -27.15 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.656 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.68 115.97 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.56 144.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -47.45 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.23 150.7 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.749 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.3 p -79.86 -16.35 55.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.4 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 100.2 4.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.91 173.73 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -72.17 -20.41 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 pt -96.34 -28.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.0 mm -58.61 143.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.235 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -130.17 145.05 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.718 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 2.8 m-85 -104.59 99.24 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 5.4 tt0 -87.63 132.73 33.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -139.3 117.58 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -54.02 148.27 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.67 132.87 29.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -80.46 122.46 4.56 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.664 2.243 . . . . 0.0 112.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.6 39.01 4.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.292 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -151.91 -176.01 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.462 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.83 -67.25 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -160.01 39.19 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -72.78 160.65 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.5 mmt -138.56 159.44 42.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -123.08 128.17 49.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.403 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 8.4 m-85 -91.43 117.58 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.42 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 14.6 tt0 -119.14 158.73 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.2 t -63.55 144.97 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 29.3 p -59.22 -40.72 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t -60.1 -74.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.95 -169.45 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.72 -173.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 113.79 -37.33 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -139.21 127.5 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 27.8 m-85 -121.43 145.45 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 7.4 mt -70.27 139.13 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -143.42 175.33 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 p -115.41 120.68 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 131.93 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -84.27 98.38 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.98 113.19 25.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 60.59 -115.59 0.68 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.64 17.42 21.33 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 122.384 -0.197 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.4 mt -135.11 142.86 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.423 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.416 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -98.92 100.28 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.042 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.6 169.62 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.404 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 tp -120.38 130.4 54.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.19 -179.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.7 tp -111.31 110.23 20.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.724 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 178.22 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.01 94.91 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.27 170.56 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -30.78 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.33 126.29 50.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.54 -20.42 56.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.045 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.2 19.29 53.23 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.092 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -86.37 122.95 31.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.826 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -54.53 -27.02 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.7 m -54.38 -29.55 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 19.2 pt -108.26 17.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.243 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 9.0 mtt -111.48 143.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.78 165.75 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.32 135.41 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -122.77 127.61 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 161.68 23.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.46 132.59 34.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 114.31 27.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.923 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -167.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.24 147.2 9.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tpmt? -84.97 112.91 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -71.93 -59.39 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -177.3 139.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -111.64 135.38 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 -175.79 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.15 134.87 45.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' HA ' HD12 ' A' ' 46' ' ' ILE . 85.0 t -88.42 103.83 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.091 0.472 . . . . 0.0 110.984 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -84.53 108.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -108.0 148.34 29.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 5.4 t30 -91.8 -171.1 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 147' ' ' ARG . 3.2 mm? -72.54 -23.27 60.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.76 11.55 19.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.354 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.81 31.65 4.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -95.0 -168.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.35 131.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.25 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 11.8 tp -72.28 141.05 48.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.42 158.77 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.443 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 11.2 mm -90.29 145.24 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.35 -175.03 2.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.28 -19.86 56.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.8 19.56 35.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.799 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 55.26 47.58 21.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -113.47 140.95 25.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.997 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.66 95.07 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.527 2.151 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mt -111.03 144.9 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 10.6 m-85 -100.75 123.51 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -143.48 159.84 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.98 148.9 29.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.3 mtm -150.81 141.83 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -74.91 -69.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 58.91 39.43 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -97.35 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.37 -41.38 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 t -69.81 -11.75 61.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.41 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -53.95 -36.94 63.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 111.231 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.11 50.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.412 . . . . 0.0 110.966 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.63 135.72 88.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.22 -63.07 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.389 2.059 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.35 -171.84 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.55 164.22 16.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 47' ' ' PHE . 2.6 tt -66.67 -161.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.762 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.484 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 77.5 m-85 -77.94 137.96 38.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 2.0 mp -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.63 121.98 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.61 109.34 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 mtm -81.66 125.49 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -97.66 143.05 28.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -71.37 119.79 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 147.71 41.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 p -83.06 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -71.25 138.47 84.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.86 97.95 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -161.61 95.95 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.31 152.88 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.421 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.9 ttp -94.01 111.09 22.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.96 104.32 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.58 169.72 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.32 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.1 p -136.21 122.56 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.725 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mt -86.68 130.48 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 p -150.02 135.3 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.57 151.56 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -135.13 141.04 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.12 0.486 . . . . 0.0 111.429 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.5 t 177.44 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.169 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.29 -27.15 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.093 0.473 . . . . 0.0 109.918 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.57 122.81 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.989 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.94 120.62 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.14 0.495 . . . . 0.0 111.372 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 t -128.49 145.77 51.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.3 m -118.97 149.5 41.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.443 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 15.6 tp -75.21 104.55 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 115.04 29.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.0 p -92.1 101.55 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.62 -98.85 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -97.97 -73.82 0.6 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -6.71 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.05 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.7 mt -106.91 165.91 4.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.7 mm -104.63 133.1 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -139.14 136.67 35.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 8.0 m-85 -87.12 122.61 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.13 119.76 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 97.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.34 134.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -68.37 145.92 97.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.62 125.57 19.46 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.434 2.089 . . . . 0.0 112.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.01 168.28 6.15 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.395 2.064 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -108.12 -26.49 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.778 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.96 104.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.3 mt -93.72 147.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.39 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.61 158.05 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -88.98 -7.64 55.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.399 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 100.04 3.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 167.57 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -69.05 -17.37 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.212 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 pt -99.65 -28.46 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.296 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.23 145.29 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 111.109 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.42 ' CD1' HD12 ' A' ' 125' ' ' LEU . 39.4 m-85 -137.46 147.32 45.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.32 89.95 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -93.7 111.57 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -123.4 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.44 150.16 40.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.7 t -91.72 139.29 24.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.93 163.95 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.489 2.126 . . . . 0.0 112.342 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.22 -138.92 14.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -119.34 -36.83 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.39 166.18 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -106.29 50.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.94 163.46 19.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.6 134.61 20.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.393 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -105.81 141.22 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.654 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.14 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -112.51 158.71 19.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -63.87 156.77 26.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -70.83 -43.16 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.8 t -60.58 -75.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.18 -169.73 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.36 -173.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.11 -28.28 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.375 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.25 126.55 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 22.0 m-85 -126.15 137.73 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 101' ' ' PHE . 7.9 mt -69.68 115.45 8.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.06 170.69 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.5 p -104.3 123.32 47.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 126.03 48.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.45 132.93 35.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.686 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.493 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 12.6 mt-10 -145.04 96.21 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 0.0 111.602 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.406 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 63.4 mtt180 61.37 -105.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.374 179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -110.17 17.46 20.95 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 122.266 -0.271 . . . . 0.0 111.662 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.406 ' HB2' ' CE ' ' A' ' 135' ' ' LYS . 6.3 mt -139.63 151.85 46.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.836 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 129' ' ' LYS . 4.5 m-85 -110.85 100.27 9.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.865 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.493 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -89.87 127.33 35.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 111.426 -179.121 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.5 tp -76.19 139.65 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.21 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.13 111.0 23.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -142.76 170.52 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 94.77 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.589 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -60.49 172.32 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.84 -41.68 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.89 121.88 43.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.38 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.03 -21.61 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.77 25.38 25.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.057 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.01 128.12 37.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.407 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.27 -30.79 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.424 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 m -52.98 -28.12 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.257 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 9.5 pt -105.31 22.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.417 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 26.9 mtt -117.26 163.88 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.779 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -148.71 168.02 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.04 127.54 54.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.0 t -112.52 114.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.77 162.07 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -89.91 122.71 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.371 . . . . 0.0 110.812 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.25 129.4 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.882 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.501 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 8.5 t80 -131.53 154.83 48.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.448 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.99 162.11 32.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.776 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -83.4 135.32 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.429 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD22 ' HG2' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -95.46 -57.55 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.965 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 5' ' ' LEU . 2.5 pt-20 -165.66 125.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.821 -179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -100.26 126.27 46.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mt -99.5 124.46 44.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.3 132.19 51.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.498 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 t -80.99 124.3 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.09 112.05 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.127 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -111.65 168.3 9.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.54 -165.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.01 -32.68 74.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -90.37 11.61 20.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.321 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 66.67 30.66 8.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -94.91 130.31 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.97 134.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 13.5 tp -58.17 128.17 35.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.21 165.44 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.433 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 8.8 mm -106.93 153.96 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.766 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.53 -179.12 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.27 -21.06 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 21.56 38.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.689 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.03 30.18 18.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.731 0.3 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.0 mtt85 -93.82 143.85 27.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.75 94.96 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.609 2.206 . . . . 0.0 112.351 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -113.65 135.73 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CZ ' HD12 ' A' ' 20' ' ' LEU . 45.1 m-85 -89.28 127.33 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.77 174.67 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.78 167.38 20.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.7 mtm -114.16 107.46 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -136.66 -81.66 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 47.58 35.52 4.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -56.78 -24.38 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -95.72 -28.56 14.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.08 -18.19 33.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.31 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -55.91 -28.44 56.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 111.056 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.51 -29.27 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.55 36.16 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.111 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -170.26 132.85 1.02 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.1 Cg_exo -66.24 -39.59 17.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.459 2.106 . . . . 0.0 112.207 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 61.07 96.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.9 m -153.74 160.34 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 10' ' ' SER . 0.3 OUTLIER -67.19 173.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 8.8 m-85 -78.02 163.39 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.983 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.19 136.33 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -112.5 113.96 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.97 114.41 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.9 mtm -89.87 127.23 35.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 56.3 m-85 -106.8 156.66 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -95.99 125.77 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.071 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.62 148.36 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -78.4 78.83 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.29 150.69 40.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 -42.07 3.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.538 2.159 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.94 87.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.5 166.53 38.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.291 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.74 125.54 45.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.04 119.75 32.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.21 170.7 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 111.589 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -150.42 107.83 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.02 140.53 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.62 128.87 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 HG23 ' CD1' ' A' ' 47' ' ' PHE . 10.7 p -89.35 137.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HD3' HD13 ' A' ' 71' ' ' ILE . 31.9 mttt -131.27 138.21 49.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.496 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.96 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.842 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -101.18 -27.33 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.012 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 122.5 1.24 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.306 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.569 HD13 ' HD3' ' A' ' 67' ' ' LYS . 16.7 mt -60.72 110.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.186 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -123.88 138.06 54.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.782 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 m -110.36 146.22 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD12 ' CE1' ' A' ' 83' ' ' PHE . 29.4 tp -75.1 114.33 13.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.777 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 p -119.93 137.42 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.43 102.69 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -54.19 -100.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -98.05 -72.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.967 0.413 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.68 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.012 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mt -106.17 164.89 4.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.986 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.4 mm -113.96 146.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.06 141.04 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.43 ' CE1' HD12 ' A' ' 74' ' ' LEU . 23.8 m-85 -84.45 111.58 19.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.46 123.47 34.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.08 97.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -176.66 126.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.763 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.417 ' N ' ' OD1' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -62.89 144.2 96.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -51.52 134.08 45.17 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.532 2.154 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.75 168.9 23.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.454 2.103 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.19 -31.92 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -143.11 94.06 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.8 mt -79.53 138.74 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER -73.93 -32.52 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.618 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.3 158.08 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.818 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -20.47 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 100.23 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.411 ' OG ' HG12 ' A' ' 100' ' ' ILE . 4.3 p -92.91 173.79 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.7 p30 -71.52 -18.71 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 17.9 pt -92.4 -30.72 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.618 0.246 . . . . 0.0 111.402 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG12 ' OG ' ' A' ' 97' ' ' SER . 29.3 mm -59.69 130.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -122.74 140.4 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 118' ' ' SER . 2.5 m-85 -100.98 99.56 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.06 123.72 30.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.658 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 120.72 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -64.41 145.4 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.4 t -96.86 132.11 26.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.72 172.16 13.61 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.01 -98.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -136.27 -50.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -172.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.766 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.74 72.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.058 0.456 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -93.33 174.51 7.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.971 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.32 145.54 30.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -116.42 139.06 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.718 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.416 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 3.3 m-85 -101.77 118.97 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -117.55 154.58 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 t -66.05 140.66 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.43 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 1.5 t -59.56 -30.69 68.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.9 m -64.0 -73.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 -170.36 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.22 -174.36 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.81 -19.75 52.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.579 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.13 123.29 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.417 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 17.1 m-85 -129.83 137.31 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 7.1 mt -66.34 108.45 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.762 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -111.8 179.74 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 22.1 p -119.35 119.9 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.8 129.33 45.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -91.13 113.04 25.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 119.98 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 59.0 -118.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.509 0.195 . . . . 0.0 111.457 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.445 ' O ' ' NZ ' ' A' ' 135' ' ' LYS . 11.2 mt -129.52 157.53 41.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.947 0.403 . . . . 0.0 111.584 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -113.87 99.9 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 133' ' ' LEU . 0.3 OUTLIER -85.82 122.56 30.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.713 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.4 tp -82.35 126.01 31.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.78 -179.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.25 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 24.3 tp -106.44 109.67 21.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.724 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -142.82 171.58 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.41 101.01 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.791 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.57 167.26 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -79.96 -30.14 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -125.25 128.45 48.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.642 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.42 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.47 -23.27 65.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.58 25.98 20.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.164 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -88.97 120.06 30.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 148' ' ' SER . 0.0 OUTLIER -53.2 -24.87 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.454 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.406 ' N ' ' HD2' ' A' ' 147' ' ' ARG . 2.5 m -58.22 -24.09 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 24.5 pt -114.64 15.94 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.469 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 10.2 mtt -108.97 128.23 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -118.15 177.84 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.77 129.52 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 17.7 t -116.29 132.97 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.08 161.78 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.75 132.08 34.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.08 111.69 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.927 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.534 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 2.5 t80 -45.66 156.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.146 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.86 153.65 24.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.712 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -86.01 133.57 33.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -93.44 -56.96 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -171.13 142.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 128.49 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -150.63 164.25 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.06 122.09 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -128.23 129.71 46.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.52 128.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.17 103.18 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.4 mtt85 -98.85 157.18 16.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 7.5 t30 -95.29 -165.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -73.21 -29.37 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.75 11.54 22.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.373 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 73.19 32.59 1.26 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -102.31 127.58 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 t -87.2 137.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' CE2' ' A' ' 30' ' ' PHE . 6.9 tp -62.34 136.99 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -145.8 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' CE1' ' A' ' 47' ' ' PHE . 9.6 mm -96.02 149.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.81 -176.83 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.4 -20.0 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.3 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.59 19.44 39.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.662 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 56.37 40.7 29.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -107.22 140.47 21.49 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.1 103.2 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.51 2.14 . . . . 0.0 112.266 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mt -121.88 138.78 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 14' ' ' ASN . 77.1 m-85 -83.86 126.46 32.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -133.1 146.84 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -76.74 151.18 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 mtp -101.02 78.99 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.4 p -71.08 -55.78 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 43.4 43.49 4.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -97.47 -66.95 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.45 -45.62 7.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.28 -14.21 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.27 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -47.68 -34.09 7.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 111.334 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.32 -29.17 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.216 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.41 48.56 2.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.46 136.39 9.79 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.205 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -87.39 -51.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.767 2.311 . . . . 0.0 112.712 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 58.41 78.93 0.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.007 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.1 m -127.87 140.0 52.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.54 171.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CE1' HG12 ' A' ' 22' ' ' ILE . 1.2 m-85 -77.99 156.67 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.053 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.74 138.14 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -110.59 135.06 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -115.27 120.87 41.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 mtm -95.48 129.41 42.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 87.7 m-85 -99.73 158.32 15.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -88.69 111.77 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.51 131.66 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.42 53.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -86.24 155.27 57.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.02 -47.66 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.528 2.152 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -150.01 97.85 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.0 132.94 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 ttp -108.42 111.19 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 109.35 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.2 m -130.8 167.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -142.68 126.02 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.01 136.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 134.12 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.27 142.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -115.35 132.76 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 t -179.38 -141.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.576 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -46.23 -30.09 1.86 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.163 0.506 . . . . 0.0 110.325 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 124.97 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.054 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -68.64 133.92 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.309 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -137.11 137.69 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.6 m -112.07 134.0 53.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.49 110.02 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.9 p -122.07 129.6 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.5 p -100.19 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -101.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -98.04 -67.96 0.82 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.454 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -6.75 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.209 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.67 165.63 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.4 mm -111.95 142.04 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -154.21 147.0 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 22' ' ' ILE . 16.4 m-85 -90.02 109.73 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -90.61 123.83 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.09 98.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ptm -176.93 133.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -71.05 147.91 94.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.67 124.96 17.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.116 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -59.68 172.09 2.33 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.413 2.075 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.27 -28.05 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -154.06 82.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 2' ' ' PHE . 48.7 mt -65.25 148.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 37.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.67 153.64 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m -83.97 -12.59 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.382 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 103.03 3.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.91 173.86 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.03 -8.82 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.497 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.8 pt -108.44 -27.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.709 0.29 . . . . 0.0 111.441 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.5 140.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.313 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -132.39 116.37 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -79.93 97.21 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.26 132.36 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 117.35 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -64.66 142.66 58.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 36.8 t -94.29 135.05 24.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.13 -177.76 3.46 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.706 2.271 . . . . 0.0 112.544 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 118.42 -78.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -155.94 -59.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -168.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -129.8 70.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -91.26 173.97 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.19 143.58 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.041 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -114.07 128.16 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -85.99 109.64 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.412 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 2.6 tt0 -104.47 158.74 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -74.73 149.95 39.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.4 p -63.5 -43.0 98.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.4 t -56.2 -75.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.07 -171.36 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 36.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.448 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.77 -4.3 65.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.584 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -150.13 140.6 22.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.757 0.313 . . . . 0.0 110.726 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.412 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 16.0 m-85 -134.63 130.84 37.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.055 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.11 145.74 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -151.71 174.84 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 132.06 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.39 119.75 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -76.96 103.25 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.0 107.01 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.638 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 60.87 -115.08 0.63 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.579 0.228 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.5 mt -135.77 142.57 44.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 111.469 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -99.42 100.29 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.046 179.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.87 123.31 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.482 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.11 126.52 32.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.44 173.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.5 tp -103.22 122.54 44.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -153.81 -177.61 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.91 95.55 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.529 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 pm0 -60.06 173.16 0.66 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.87 -34.98 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -125.7 123.84 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.31 -23.1 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.04 19.14 54.84 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.351 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -84.45 124.38 31.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.2 ptt85 -55.83 -26.47 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.301 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.3 m -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 9.3 pt -100.44 19.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.816 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.8 177.54 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.55 130.47 49.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.68 130.85 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -129.46 161.86 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.43 132.14 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 103.03 15.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.801 0.334 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -92.59 168.78 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.47 159.96 27.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 116.23 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.84 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -177.06 138.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 p -112.22 115.91 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.2 -175.83 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -103.48 122.76 45.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.419 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.98 135.32 50.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 t -81.0 143.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.62 110.44 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -118.49 134.25 55.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.356 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -99.47 -165.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -57.94 -26.62 62.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -87.15 11.6 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.475 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.26 25.73 2.63 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 111.507 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -99.2 134.11 42.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -83.67 129.8 36.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 13.2 tp -60.44 143.2 53.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 44' ' ' ARG . 6.6 m-85 -156.68 165.09 37.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 HG12 ' CE2' ' A' ' 47' ' ' PHE . 14.9 mm -93.27 151.35 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -176.82 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -19.02 63.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.73 5.17 56.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.917 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 67.6 46.68 1.31 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.222 0.535 . . . . 0.0 110.184 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HG3' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.86 147.83 40.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.089 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.35 95.89 1.01 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 HD12 ' HG3' ' A' ' 27' ' ' ARG . 10.7 mt -121.15 140.84 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 32.7 m-85 -83.81 141.63 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -137.92 148.61 45.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.67 136.8 43.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.0 mmm -143.51 143.49 31.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 p -71.45 -58.4 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.3 28.18 17.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -97.5 -69.47 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.87 -40.73 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -53.81 -32.47 52.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 111.011 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.24 23.45 6.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -179.69 39.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.89 0.376 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.39 143.35 97.82 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.53 -45.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.692 2.261 . . . . 0.0 112.3 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 1.7 ptm85 -111.79 113.29 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 t -83.54 153.42 24.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.177 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -64.41 -160.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.636 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CE2' HG12 ' A' ' 22' ' ' ILE . 53.8 m-85 -78.28 163.06 26.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.399 . . . . 0.0 111.065 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -96.4 114.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.57 131.05 35.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.99 104.33 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 mtm -81.03 128.21 33.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -102.66 134.28 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -73.32 105.88 4.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -136.41 136.19 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 m -92.63 76.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -108.04 155.11 40.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.36 -46.12 19.51 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.508 2.139 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.85 101.87 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.08 128.38 0.98 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.3 ttp -97.97 109.9 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.95 117.64 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.85 169.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.254 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -147.73 113.41 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.775 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 mt -84.31 127.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -143.39 139.1 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -97.28 144.44 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -135.35 137.98 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.178 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -27.5 14.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.964 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.36 123.14 2.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.295 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.49 119.87 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.334 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -133.38 146.35 51.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 m -123.76 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 p -130.42 143.48 50.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.01 105.4 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.06 -100.0 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.98 -73.85 0.6 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.959 0.409 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.71 -6.72 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mt -105.91 165.48 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -111.39 143.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 p -154.16 151.82 29.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CE2' HD11 ' A' ' 22' ' ' ILE . 6.6 m-85 -95.33 120.25 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 115.5 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 98.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ptm -176.53 133.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.38 146.13 96.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.5 138.1 48.93 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.422 2.081 . . . . 0.0 112.274 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.74 170.63 19.58 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.25 -41.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.44 103.64 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 40.3 mt -86.17 143.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -26.63 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -84.89 150.95 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -85.97 3.59 41.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.297 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.74 102.08 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.71 171.45 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -74.01 -21.33 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -94.88 -28.41 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.4 mm -60.91 133.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -129.52 143.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.421 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 18.0 m-85 -108.73 103.07 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -85.83 137.81 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -142.11 120.85 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.38 159.66 6.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.4 t -107.83 134.02 20.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.69 157.9 18.83 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.625 2.217 . . . . 0.0 112.41 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.83 45.75 91.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -162.37 -178.07 6.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.37 -75.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -160.08 71.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -103.89 165.52 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.2 154.45 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.025 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -123.89 132.17 53.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -90.74 115.62 27.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -108.19 158.28 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 153.51 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 83.0 p -65.18 -40.86 94.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.008 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.401 ' OG ' ' CD1' ' A' ' 120' ' ' TYR . 8.2 t -56.44 -67.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.401 ' CD1' ' OG ' ' A' ' 119' ' ' SER . 4.1 p90 -158.68 -171.57 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.49 37.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.347 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.67 66.63 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -150.18 138.54 20.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.45 138.06 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.3 114.99 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.45 -178.41 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.9 p -122.22 124.25 43.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.97 127.43 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.91 101.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.83 110.29 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 60.71 -115.81 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -109.65 17.51 21.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.556 0.217 . . . . 0.0 111.28 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -132.05 141.48 49.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.082 0.468 . . . . 0.0 111.545 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 129' ' ' LYS . 2.2 m-85 -99.19 100.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.819 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -81.82 156.38 24.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.35 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.47 124.82 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.6 pt -129.38 -179.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.37 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.4 tp -129.81 112.55 13.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.781 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -154.73 176.15 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.68 99.57 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.5 pm0 -60.28 175.22 0.45 Allowed 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.91 -38.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.81 126.1 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.7 mt -65.51 -24.76 67.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.94 26.45 22.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.4 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.66 129.35 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -29.7 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 p -53.91 -32.03 52.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 6.3 pt -106.81 24.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 17.5 mtt -117.61 137.44 52.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -131.6 164.65 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 138.81 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.774 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.93 140.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 161.73 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -90.42 132.78 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.02 90.02 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.944 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -149.3 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.55 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.82 174.42 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.935 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -94.68 132.67 39.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.57 -56.52 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -172.12 136.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.804 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.65 120.63 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -147.59 169.62 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mt -89.98 138.86 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.67 141.03 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.32 123.23 39.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -110.39 114.26 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -113.01 159.04 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' CZ ' ' A' ' 30' ' ' PHE . 2.5 t30 -99.16 -163.94 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.45 -29.02 59.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -89.96 11.62 19.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.36 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 72.37 25.45 2.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -101.63 123.8 46.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.08 150.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.301 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' CE1' ' A' ' 30' ' ' PHE . 15.1 tp -74.13 138.0 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.21 155.62 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.438 HG12 ' CE1' ' A' ' 47' ' ' PHE . 10.3 mm -92.33 144.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -107.13 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.25 -24.16 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.72 33.42 6.07 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.401 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 45.48 44.33 9.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 111.364 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -103.51 134.21 19.88 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.29 95.02 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.421 2.081 . . . . 0.0 112.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -111.44 152.87 26.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.424 ' CE1' HD11 ' A' ' 20' ' ' LEU . 52.0 m-85 -103.66 133.18 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.38 172.91 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.73 167.37 19.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -131.06 114.36 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 p -133.81 -91.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 40.75 47.48 2.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 111.451 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -59.35 -39.05 81.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.219 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -95.53 -28.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.313 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 t -84.38 -18.14 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.48 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -40.1 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.42 -25.11 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -129.18 56.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -131.77 132.75 23.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.333 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 98.1 Cg_endo -90.7 -49.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.992 2.461 . . . . 0.0 113.01 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.56 163.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.917 0.389 . . . . 0.0 111.539 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -177.62 173.27 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -58.95 163.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -77.6 166.23 23.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.047 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.05 148.22 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.377 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.7 mm -121.14 112.82 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.68 107.11 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.2 mtm -82.62 127.64 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 11.1 m-85 -101.91 157.78 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -84.03 115.37 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -142.93 134.72 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -95.9 42.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -71.3 155.61 92.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.802 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.38 -56.72 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.5 2.133 . . . . 0.0 112.299 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -143.39 83.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . -179.73 142.0 4.97 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm -111.39 118.32 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.667 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.83 125.7 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.267 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -144.26 169.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.417 HG23 ' CE1' ' A' ' 52' ' ' TYR . 81.9 p -144.63 115.47 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.19 135.13 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 139.26 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.183 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.4 136.0 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' HG2' HD12 ' A' ' 71' ' ' ILE . 18.2 mttt -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 0.0 111.443 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -179.51 -85.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.891 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -93.5 -24.07 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.188 0.518 . . . . 0.0 109.667 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.93 127.72 6.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.848 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.437 HD12 ' HG2' ' A' ' 67' ' ' LYS . 3.0 mt -78.37 117.81 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 111.312 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -128.57 143.76 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -126.5 135.81 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 83' ' ' PHE . 41.0 tp -65.02 124.49 22.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -134.06 139.86 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -114.39 102.54 10.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.81 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -98.07 -72.74 0.64 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.895 0.379 . . . . 0.0 110.478 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.69 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.999 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.1 mt -106.89 165.65 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.066 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.7 mm -111.92 145.36 18.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -158.0 141.13 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' A' ' 74' ' ' LEU . 24.4 m-85 -87.93 113.77 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.96 123.74 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.17 97.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.6 ptm 179.93 138.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -71.79 149.19 92.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.83 135.47 41.48 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.67 161.56 30.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.415 2.077 . . . . 0.0 112.408 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.17 -31.18 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -146.15 125.82 13.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mt -106.22 147.26 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 29.64 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -140.74 156.28 46.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -7.35 56.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.35 104.22 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.89 169.61 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -76.9 -24.37 52.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.7 pt -92.65 -30.8 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.275 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.5 mm -59.38 134.1 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.276 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 30.4 m-85 -122.52 151.91 40.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.8 m-85 -111.02 92.08 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.39 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 8.1 tt0 -93.33 115.99 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.331 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.508 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpt180 -126.22 146.6 49.92 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.17 155.92 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.2 t -108.27 134.06 20.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.84 139.69 12.41 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.701 2.267 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 109' ' ' HIS . . . 84.26 37.78 10.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 61.0 m80 -157.78 -173.92 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.713 0.292 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.16 -74.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -160.04 45.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -78.47 162.56 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.435 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 8.2 mmt -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.92 129.04 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 7.4 m-85 -90.06 118.89 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 9.4 tt0 -119.44 158.78 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -62.72 147.56 49.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 86.4 p -58.35 -43.78 88.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 t -58.58 -76.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.02 -167.42 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.5 -174.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.15 -33.76 5.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -135.09 121.12 19.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 10.9 m-85 -119.69 137.33 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.453 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 5.9 mt -68.87 119.66 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -124.56 172.7 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 19.4 p -105.82 126.42 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.01 96.33 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.823 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -105.62 99.18 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 61.78 -110.64 0.4 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.68 17.4 21.33 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.504 0.193 . . . . 0.0 111.378 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.13 142.53 44.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.002 0.429 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 36.3 m-85 -96.88 101.57 13.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.096 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.94 128.83 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.89 146.79 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 pt -155.43 -179.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -126.34 114.98 18.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -151.97 -176.95 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.48 99.2 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -62.66 178.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.88 -28.63 39.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.48 125.27 36.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.38 -26.17 68.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.3 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.17 123.45 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -27.28 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.7 m -54.6 -30.19 53.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.817 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 21.6 pt -105.66 16.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 7.0 mtt -111.42 153.18 26.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 5.6 m-85 -138.93 177.83 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.3 140.31 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.5 t -124.32 139.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -136.44 161.81 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.748 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.29 133.04 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 121.004 0.43 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CE2' ' CB ' ' A' ' 52' ' ' TYR . 1.5 t80 -44.78 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.867 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.7 -179.19 29.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.996 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' CE ' ' CE2' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -100.12 133.07 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.036 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.38 -52.18 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 142.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 132.3 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -152.18 176.68 11.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -96.9 130.37 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.17 135.33 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.41 126.06 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -106.2 117.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.757 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 29.1 p-10 -91.88 -171.41 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -68.26 -20.31 64.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.359 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.95 11.46 18.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.497 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 63.75 28.32 14.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.379 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -109.61 144.73 37.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.28 149.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 HD12 ' CE1' ' A' ' 30' ' ' PHE . 12.1 tp -77.61 144.94 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 31' ' ' GLU . 6.1 p90 -156.53 152.19 27.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 11.1 mm -89.08 143.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.01 -179.28 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.69 -20.5 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.07 21.32 31.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 57.25 50.11 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -115.96 139.5 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.16 108.59 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.345 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 11.2 mt -123.67 155.82 37.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CE1' HD12 ' A' ' 20' ' ' LEU . 57.0 m-85 -114.62 123.78 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -149.21 172.09 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -72.34 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 mtm -106.58 136.94 45.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -110.63 -75.91 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.08 38.41 26.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.31 -62.17 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.42 -43.04 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.81 -14.71 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -51.14 -39.61 56.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.17 -29.64 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.066 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -113.16 40.47 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.31 129.6 23.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.063 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -91.54 -63.24 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.803 2.336 . . . . 0.0 112.708 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -107.56 170.8 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.958 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.49 -89.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.792 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.51 -174.12 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.548 0.213 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 6.4 m-85 -78.22 165.29 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.998 0.428 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.66 129.75 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.07 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.6 mm -100.72 117.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -103.37 121.25 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.3 mtm -96.33 133.63 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CE2' ' A' ' 2' ' ' PHE . 4.8 m-85 -103.88 151.78 22.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -85.42 123.16 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -111.56 156.89 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 p -68.82 -64.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -97.38 145.24 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.5 79.44 2.5 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.25 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.87 87.43 2.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.67 140.25 8.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 ttp -85.64 109.31 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.18 99.7 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.15 167.45 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.7 p -146.41 128.5 15.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.92 122.92 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.684 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 p -127.66 132.75 49.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 111.274 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.62 124.14 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.757 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -116.49 138.53 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.14 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.217 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.441 ' C ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -90.82 -35.39 14.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.441 ' HG3' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -148.45 126.14 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.132 179.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mt -64.08 116.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.0 t -127.74 156.88 41.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 m -130.91 143.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 83' ' ' PHE . 13.6 tp -72.75 109.33 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.584 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 135.08 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.147 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.6 p -102.67 101.7 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -157.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -41.58 -30.06 0.2 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 15.1 mt -74.89 159.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 38.2 mm -103.41 127.49 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.0 m -145.56 149.32 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.057 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' A' ' 74' ' ' LEU . 13.7 m-85 -92.19 117.48 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.713 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.67 134.17 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.61 106.34 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.9 ptm -178.15 118.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.07 149.52 90.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.59 128.59 30.05 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.518 2.145 . . . . 0.0 112.184 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.99 158.19 53.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.394 2.063 . . . . 0.0 112.284 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -93.13 -33.39 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -143.96 93.84 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -75.27 123.88 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -56.6 -26.98 57.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.59 158.08 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.1 m -82.62 -19.16 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 101.79 5.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.95 163.28 13.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.789 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -64.84 -21.78 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 pt -93.65 -30.09 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.7 mm -58.69 142.3 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 0.0 111.242 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 32.2 m-85 -131.1 148.6 52.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.2 m-85 -107.11 99.57 9.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 31.1 tt0 -92.38 129.76 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.243 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.23 149.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -98.71 131.87 24.96 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.24 -173.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.395 2.063 . . . . 0.0 112.25 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.0 -132.82 11.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -121.4 -43.55 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.32 -178.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -125.21 70.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -101.01 164.92 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.0 mmt -126.74 151.8 47.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -117.65 122.65 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.417 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 9.7 m-85 -95.48 113.48 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.2 tt0 -115.63 158.86 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.947 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 1.1 p -57.32 -28.4 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -160.63 91.08 0.89 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.516 0.198 . . . . 0.0 111.071 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 120' ' ' TYR . 8.8 pt-20 44.75 -173.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.248 0.547 . . . . 0.0 111.692 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.46 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.521 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -133.81 120.11 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 8.0 m-85 -107.5 155.89 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.434 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 6.0 mt -79.85 110.57 15.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.15 175.1 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.78 117.72 31.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.3 127.46 37.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -84.11 94.23 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.25 104.7 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.809 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 61.49 -112.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.575 0.226 . . . . 0.0 111.225 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.42 142.91 47.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 111.303 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -98.86 100.39 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.259 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -88.07 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.8 145.08 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 16.1 pt -151.24 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.4 tp -133.57 115.44 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -156.72 173.67 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 95.76 8.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.401 ' CB ' HG21 ' A' ' 149' ' ' ILE . 5.2 pm0 -60.48 172.87 0.79 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.02 -37.11 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.92 124.31 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.686 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.2 mt -68.86 -23.41 64.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.237 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.92 21.05 45.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.42 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 127.75 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.975 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -27.87 61.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -29.2 38.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . 0.401 HG21 ' CB ' ' A' ' 141' ' ' GLU . 3.1 pt -108.04 22.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.238 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 25.7 mtt -113.38 148.22 36.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.86 161.85 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.64 126.18 51.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -117.63 133.6 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -123.72 161.63 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.75 131.46 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.29 86.37 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.908 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.412 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 1.4 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.827 0.346 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.37 152.88 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.45 145.65 13.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -77.52 125.27 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -84.21 -55.73 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -175.96 143.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -111.01 114.5 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -134.93 -175.85 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.58 127.0 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.2 134.29 47.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.439 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.1 134.49 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.132 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -119.14 114.45 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.169 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -112.51 160.87 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 9.7 t30 -106.68 -170.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.4 -29.05 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.62 11.57 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 68.4 30.46 5.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -104.89 141.16 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.2 t -84.46 140.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.53 136.45 55.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.59 156.17 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.425 HD11 ' CE2' ' A' ' 83' ' ' PHE . 10.5 mm -100.46 153.5 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.96 -178.76 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.08 -20.37 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.37 19.95 38.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.719 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 58.56 30.78 20.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -93.38 132.35 30.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.13 94.93 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.551 2.167 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mt -113.47 136.84 52.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 14' ' ' ASN . 61.2 m-85 -83.9 145.19 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.024 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -148.62 167.24 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.82 155.11 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.6 mtp -139.45 105.58 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 p -92.23 168.44 11.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.12 35.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.2 m -97.06 -57.54 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.78 -31.54 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.0 t -78.44 -10.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.682 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -25.64 9.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 111.359 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.8 86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 61.54 47.39 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.97 139.99 66.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -86.62 -55.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.62 2.213 . . . . 0.0 112.777 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.81 93.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -138.19 103.05 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.249 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -74.88 -168.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.372 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.416 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 20.1 m-85 -78.24 157.29 29.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.76 137.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.0 mm -114.17 124.52 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.075 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.37 107.48 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 mtm -81.07 129.37 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -98.59 147.89 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 tptt -82.78 123.29 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.31 150.02 40.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -94.55 45.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -96.16 145.03 28.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.78 -45.36 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.568 2.179 . . . . 0.0 112.365 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -136.58 90.3 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.8 123.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -103.79 103.91 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 116.01 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -132.66 170.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.61 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.4 p -146.34 104.36 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.644 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mp -77.8 136.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.024 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.25 142.86 22.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.8 p -98.33 138.81 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.64 133.75 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.51 . . . . 0.0 111.31 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.65 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.11 -28.46 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.164 0.507 . . . . 0.0 109.89 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -158.68 126.22 5.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.128 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.1 118.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 0.0 111.387 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -131.82 152.25 51.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 m -127.08 141.73 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 83' ' ' PHE . 11.8 tp -68.06 100.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.86 127.32 43.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.1 p -102.81 101.35 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -44.32 -69.1 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.434 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.07 -6.65 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.787 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.8 mt -102.98 163.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.973 0.416 . . . . 0.0 111.308 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.7 mm -120.62 139.71 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -159.01 144.57 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 22' ' ' ILE . 23.0 m-85 -81.7 109.1 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -91.28 120.89 32.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.93 97.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ptm -171.11 141.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -80.93 142.79 52.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.599 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.25 127.77 23.19 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.478 2.119 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.15 161.17 43.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.067 . . . . 0.0 112.248 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -39.86 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.85 111.51 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -88.68 136.3 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.4 OUTLIER -68.04 -41.95 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.07 155.52 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 -22.82 42.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 100.12 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.85 160.98 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.43 -19.88 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 27.0 pt -95.58 -13.88 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.463 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.6 mm -81.64 137.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CE2' HD11 ' A' ' 125' ' ' LEU . 25.7 m-85 -131.41 141.71 49.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -95.85 102.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 13.7 tt0 -87.16 131.25 34.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.94 117.23 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 p -57.5 161.63 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.8 t -109.88 137.05 20.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.88 175.58 10.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.782 2.321 . . . . 0.0 112.75 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.577 ' O ' ' HB2' ' A' ' 109' ' ' HIS . . . 104.95 12.58 27.41 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.66 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 3.3 m-70 83.07 3.2 1.0 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 122.884 0.474 . . . . 0.0 110.207 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -174.81 4.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.936 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -138.12 28.57 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -85.21 166.39 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.7 mmt -137.14 158.01 45.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.05 133.78 51.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 44.5 m-85 -102.61 110.91 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 16.3 tt0 -102.95 157.64 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.07 136.06 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.5 p -56.48 -38.63 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.24 -66.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -157.41 -168.04 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 25.47 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.45 -21.29 72.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -149.94 163.62 37.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.774 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 37.5 m-85 -141.34 143.21 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 101' ' ' PHE . 1.8 mt -67.06 123.0 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.0 162.83 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.43 134.23 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -113.38 129.89 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.447 ' CG ' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -78.44 116.56 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.411 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.514 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 5.0 mt-10 -117.8 87.74 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.173 0.511 . . . . 0.0 111.522 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 63.78 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.721 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.29 -9.06 14.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.2 mt -119.57 138.81 52.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.968 0.413 . . . . 0.0 112.019 -179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.447 ' CE2' ' CG ' ' A' ' 129' ' ' LYS . 7.6 m-85 -98.25 100.29 11.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.652 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.514 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -83.72 170.77 13.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.969 0.414 . . . . 0.0 111.435 -178.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.5 tp -128.72 133.75 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.838 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -144.91 178.18 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.8 tp -107.38 112.52 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -146.36 176.76 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 111.177 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.34 94.79 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.655 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.6 pm0 -60.47 178.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.027 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -33.46 21.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.91 123.62 40.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.78 23.41 34.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.235 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.55 126.84 36.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -29.22 57.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -53.86 -27.41 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 8.7 pt -110.3 22.2 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.91 133.71 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.95 177.83 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 136.38 54.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 13.4 t -132.04 127.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.37 161.83 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.14 130.27 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 95.52 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.968 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.891 0.377 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -65.69 155.77 35.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.27 159.54 22.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -85.67 108.56 18.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.93 -59.0 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -176.5 124.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 114.59 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -147.0 -175.85 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.79 131.57 49.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -132.14 136.8 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.542 179.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.26 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.118 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -107.76 116.77 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -117.16 155.1 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.98 -176.51 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.34 12.24 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.29 21.6 6.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.984 0.421 . . . . 0.0 111.536 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.89 -169.99 2.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.31 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.43 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 17.1 tp -66.52 132.66 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.88 158.79 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 8.0 mm -105.47 149.83 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.92 -179.19 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.44 -23.04 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.33 28.49 15.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 45.37 30.59 0.72 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 111.519 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -90.83 136.3 27.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.77 96.8 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.492 2.128 . . . . 0.0 112.379 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.64 148.19 38.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 24.5 m-85 -103.14 128.59 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -153.92 156.15 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.51 167.32 15.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.81 107.85 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -119.55 -81.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 43.03 52.34 5.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.909 0.385 . . . . 0.0 111.368 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -50.72 -58.3 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.432 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.02 -19.43 52.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.659 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.33 -19.01 23.41 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -47.73 -50.79 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.389 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.78 -25.63 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.289 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.23 54.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.74 142.42 15.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.296 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.98 -44.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.747 2.298 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.13 96.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -150.63 117.86 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -65.24 -173.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.425 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 8.4 m-85 -78.05 152.75 32.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.417 HD11 ' CE ' ' A' ' 67' ' ' LYS . 4.7 mp -75.15 135.03 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mm -114.92 119.82 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -102.12 113.68 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.4 mtm -87.98 122.78 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 51.3 m-85 -98.05 136.93 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -75.98 121.07 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -106.7 152.67 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -51.67 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -86.0 145.04 40.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.79 42.54 0.89 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.8 2.333 . . . . 0.0 112.65 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 mmt-85 -115.1 79.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 102.14 142.23 12.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.735 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.5 ttp -93.56 120.64 34.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 119.46 22.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.7 m -139.84 170.55 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.36 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.9 p -148.98 119.21 7.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.1 mt -87.67 129.29 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -139.58 126.79 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.06 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.35 140.44 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.676 ' HD3' HD12 ' A' ' 71' ' ' ILE . 11.9 mttm -134.38 138.49 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.465 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t 178.48 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.097 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -96.79 -27.81 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' HD2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -163.81 126.77 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.12 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.676 HD12 ' HD3' ' A' ' 67' ' ' LYS . 19.7 mt -61.96 125.03 17.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -137.95 127.92 25.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.781 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -105.6 140.11 39.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 83' ' ' PHE . 29.1 tp -68.6 113.36 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.22 127.88 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.75 101.44 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.59 -155.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -42.0 -30.97 0.3 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.611 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 -32.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mt -79.17 145.16 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.5 mm -95.87 138.8 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 71.1 m -156.34 139.09 15.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' A' ' 74' ' ' LEU . 31.5 m-85 -81.36 105.77 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -85.56 123.01 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.29 98.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -173.84 133.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.38 132.83 94.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 135.06 59.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.395 2.063 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.07 176.61 9.91 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.96 -37.27 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -134.87 97.13 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.4 mt -81.91 122.28 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -17.86 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -99.41 158.14 15.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.781 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -3.73 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.431 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.74 99.71 1.87 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.861 0.363 . . . . 0.0 111.335 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.31 151.6 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.01 -25.66 58.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.943 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 pt -87.33 -30.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.25 129.09 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -123.93 150.18 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.27 97.19 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 36.0 tt0 -96.01 112.62 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.464 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.1 tpt85 -128.09 148.12 50.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 111.146 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.28 155.89 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.3 t -109.11 136.32 20.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.19 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.39 139.23 10.23 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 87.05 39.55 7.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -162.17 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.787 0.327 . . . . 0.0 110.754 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.24 -74.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.02 58.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -90.0 161.67 15.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 14.0 mmt -127.01 164.98 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.976 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.421 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.2 tt0 -136.05 128.17 29.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 9.0 m-85 -92.4 115.31 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 21.6 tt0 -112.35 157.03 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.36 145.32 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.0 p -64.43 -43.19 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -68.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -158.09 -178.01 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -175.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.4 -25.63 26.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -131.33 115.32 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 23.2 m-85 -118.88 142.58 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 4.6 mt -68.29 117.51 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -125.89 176.84 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.275 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.4 p -111.07 131.15 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.68 135.64 50.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 98.86 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.77 103.23 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 61.45 -114.01 0.54 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -109.59 17.47 21.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.651 0.262 . . . . 0.0 111.035 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -129.01 143.58 50.91 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.063 0.459 . . . . 0.0 111.56 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.97 100.26 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.847 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -89.08 168.89 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.354 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 tp -121.66 126.23 48.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.739 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.08 -179.98 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.0 tp -109.28 110.77 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 110.605 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -150.01 179.08 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 103.88 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.43 175.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -29.25 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -124.91 123.95 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.63 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.37 -26.23 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.46 26.78 18.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.313 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -86.63 120.64 28.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.721 0.296 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -24.66 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -30.96 61.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.924 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 13.7 pt -101.6 13.01 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.1 mtt -106.62 141.71 37.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.48 159.54 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.79 124.83 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.64 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.9 t -118.18 129.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 161.83 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -80.53 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.56 109.91 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.817 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.767 0.317 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.489 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 2.9 t80 -122.2 151.14 41.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.96 171.46 36.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.892 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -84.57 138.26 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -98.5 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -167.45 142.49 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.68 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.86 -178.8 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 mt -109.32 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.013 0.435 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.417 ' O ' HG22 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -128.07 138.97 52.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.471 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.99 123.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.4 mt -102.47 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.202 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -105.36 153.48 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.777 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 7.9 t30 -103.51 -168.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.16 -27.42 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.5 11.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.342 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 68.9 31.33 4.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -105.83 143.24 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.81 138.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD11 ' CE1' ' A' ' 30' ' ' PHE . 11.4 tp -57.9 146.45 32.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -151.99 160.68 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 8.7 mm -105.04 154.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.25 177.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -22.91 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.212 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.67 27.66 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 45.5 44.59 9.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.373 . . . . 0.0 111.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -107.19 137.96 19.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.1 94.93 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.423 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.97 140.79 45.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE1' HD11 ' A' ' 20' ' ' LEU . 21.0 m-85 -89.53 123.58 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.46 151.77 51.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.56 137.87 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmm -117.84 101.85 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.8 p -113.47 -77.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 56.38 40.06 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -55.12 -44.26 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.59 -28.36 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.67 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.458 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -51.78 -33.74 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.857 0.36 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.05 -29.92 71.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -133.64 38.16 3.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.94 135.77 21.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.91 -56.84 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.484 2.123 . . . . 0.0 112.201 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 60.61 78.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.785 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.6 m -155.84 94.95 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -63.87 -167.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 21.7 m-85 -78.31 161.46 27.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.828 0.347 . . . . 0.0 110.967 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.37 132.97 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mm -105.99 114.29 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.83 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mtm -89.87 129.61 36.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.489 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 20.8 m-85 -100.25 154.05 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 111.04 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -88.61 117.8 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.65 149.37 29.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -96.25 42.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 154.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.75 -57.15 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.595 2.197 . . . . 0.0 112.547 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -155.28 100.05 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.96 111.42 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.15 105.94 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.88 98.87 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.34 170.61 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.579 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.1 p -138.92 121.48 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.747 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.3 mt -86.99 121.1 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.849 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 p -132.22 138.53 47.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.6 p -104.34 131.51 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -126.62 136.96 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.286 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.87 -80.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -96.64 -26.98 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.066 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 123.07 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.03 122.1 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.6 124.56 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.7 m -100.79 141.9 33.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 HD11 ' CE2' ' A' ' 83' ' ' PHE . 40.0 tp -73.27 104.98 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 130.27 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 p -99.93 101.42 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -152.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.77 -72.12 0.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.665 0.269 . . . . 0.0 111.425 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -6.67 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.7 mt -103.03 159.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.409 . . . . 0.0 111.364 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.1 mm -112.92 135.38 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.74 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m -155.31 147.49 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 22' ' ' ILE . 10.7 m-85 -87.72 114.44 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.51 124.03 38.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.05 99.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.6 ptm -177.82 137.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -76.72 155.08 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.49 130.78 31.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.483 2.122 . . . . 0.0 112.052 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.22 161.87 20.19 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.524 2.149 . . . . 0.0 112.674 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -88.71 -40.42 13.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.442 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 129.27 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.437 HG21 HD13 ' A' ' 92' ' ' ILE . 50.2 mt -115.04 -10.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.29 29.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 111.4 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.63 137.07 16.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.6 p -80.61 4.01 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 99.82 1.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.986 0.422 . . . . 0.0 111.564 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.32 173.82 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.637 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.91 -1.07 46.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.418 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 pt -115.71 -27.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.722 0.296 . . . . 0.0 111.423 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.408 HG12 ' CB ' ' A' ' 97' ' ' SER . 31.1 mm -57.26 142.64 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.527 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 125' ' ' LEU . 4.8 m-85 -133.59 126.47 31.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.671 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 118' ' ' SER . 1.9 m-85 -85.81 95.61 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.334 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 8.0 tt0 -95.53 121.97 37.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 143.38 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.561 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.8 144.76 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.462 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.405 ' CG1' ' HD2' ' A' ' 107' ' ' PRO . 18.7 t -89.9 137.26 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.778 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.405 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 71.7 Cg_endo -81.65 98.79 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.667 2.245 . . . . 0.0 112.453 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 109' ' ' HIS . . . -159.66 -68.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.471 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 5.6 m170 -170.03 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -70.57 -178.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -104.59 46.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -81.02 157.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.8 mmt -129.32 156.65 43.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.97 139.44 53.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.414 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 6.0 m-85 -99.53 123.01 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 1.8 tt0 -118.69 158.68 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.61 131.61 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.443 ' HA ' ' CD2' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -55.68 -35.23 65.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 62.9 m -59.96 -71.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 119' ' ' SER . 57.6 m-85 -159.92 -179.18 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.74 -173.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.57 -28.31 16.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -129.36 126.74 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 19.2 m-85 -127.77 137.74 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 101' ' ' PHE . 5.1 mt -67.98 115.0 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.0 176.09 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.62 129.22 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.58 127.96 55.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.04 95.29 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.6 105.75 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 59.42 -111.72 0.55 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.756 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.61 17.64 21.12 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.666 0.27 . . . . 0.0 111.26 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mt -138.57 137.15 36.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.67 100.18 13.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -89.61 130.8 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.403 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.37 126.41 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.586 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.83 175.56 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 111.108 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 15.3 tp -104.07 111.01 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.473 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -145.06 171.64 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 96.51 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.85 170.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -79.9 -48.88 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.462 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -106.49 123.6 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 144' ' ' LEU . 1.2 mt -68.16 -24.34 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.08 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.26 25.09 27.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.29 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.4 132.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -29.09 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.01 -27.24 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 5.4 pt -113.7 21.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 10.4 mtt -116.83 125.68 51.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' CD1' ' A' ' 151' ' ' PHE . 3.9 m-85 -113.95 164.66 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.31 130.64 56.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.3 t -123.7 125.49 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.03 161.91 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.719 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -84.96 129.79 34.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.4 129.43 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.513 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.77 0.319 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -113.06 161.43 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.41 147.35 18.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -88.19 116.28 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.85 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -177.46 145.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 t -107.27 134.37 50.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -148.87 166.04 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -88.29 140.79 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 p -139.77 142.76 36.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.62 103.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.5 mt -88.51 107.66 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -116.31 169.19 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.45 -164.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? -74.14 -28.51 61.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.87 11.53 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.427 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.38 39.71 2.17 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -110.04 129.9 55.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.91 147.43 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -75.81 151.99 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -156.78 163.17 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.442 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.3 mm -97.0 153.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.16 179.28 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.27 -19.11 61.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.19 16.38 49.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.855 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 57.91 44.6 19.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.11 141.51 26.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.29 97.77 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 112.321 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mt -116.0 134.87 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' CZ ' HD11 ' A' ' 20' ' ' LEU . 96.4 m-85 -84.34 161.44 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.1 149.43 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -88.14 122.83 32.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.91 164.33 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 p -97.75 -65.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.69 41.16 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.55 -56.79 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.59 -29.25 14.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.57 -11.85 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.41 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -35.79 60.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -64.35 87.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.73 49.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.99 158.22 1.23 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.11 -62.9 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.758 2.306 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -114.79 -176.92 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.9 173.83 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.242 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 47' ' ' PHE . 2.7 tt -82.73 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 76.3 m-85 -77.9 159.49 28.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -101.02 125.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.7 mm -98.46 129.33 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.29 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -111.12 107.3 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.8 mtm -80.98 125.93 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -94.37 146.48 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -91.67 108.42 19.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -151.5 152.54 33.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 81.18 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.84 154.33 38.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.66 -55.95 1.48 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.236 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -159.67 79.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.64 113.0 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.1 ttp -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.98 101.63 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -129.05 170.41 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.307 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 80.5 p -142.81 129.07 19.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.43 123.71 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 141.31 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.29 143.62 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -136.57 141.34 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.036 0.446 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -82.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.206 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -95.49 -27.11 15.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 109.996 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 122.72 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.165 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.81 132.17 32.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 t -145.8 153.64 41.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -129.49 139.59 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.5 tp -70.34 115.36 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -123.08 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.9 p -109.2 101.97 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.64 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -97.88 -72.13 0.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -6.58 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -107.47 166.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.403 ' CG1' ' HA ' ' A' ' 137' ' ' ILE . 33.2 mm -113.54 143.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -156.72 142.19 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -83.02 113.39 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -95.1 127.93 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.31 98.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.5 ptm -173.11 131.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -71.91 145.66 89.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.23 127.34 24.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.161 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.63 161.05 34.36 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.433 2.088 . . . . 0.0 112.404 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.87 -30.85 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -150.63 105.39 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.5 mt -83.51 151.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.068 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -78.94 -32.23 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.371 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -98.27 154.17 17.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 m -80.04 -11.47 59.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 100.13 3.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.818 0.342 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.89 157.0 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -62.8 -21.37 65.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 pt -92.95 -30.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.292 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.9 mm -59.34 132.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.31 144.1 51.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.6 m-85 -101.97 96.31 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -82.3 130.82 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.06 27.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.33 146.66 53.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.0 t -94.31 140.06 22.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.95 -166.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.436 2.091 . . . . 0.0 112.253 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.79 -138.04 18.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -118.95 -37.25 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.3 167.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.27 63.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -95.51 170.38 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -150.33 154.9 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -120.38 136.64 54.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -95.9 108.1 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -104.89 157.62 17.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.07 153.55 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 2.4 p -71.25 -39.25 71.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 4.9 t -65.48 -67.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 119' ' ' SER . 85.6 m-85 -159.37 -177.66 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.92 -174.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.31 -25.41 15.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.634 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.16 141.21 40.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.802 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.413 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 24.3 m-85 -136.64 135.89 38.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.1 mt -68.2 108.96 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.384 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -111.71 178.65 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.0 p -112.81 153.46 27.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -139.58 129.53 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.94 96.93 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.781 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 107.08 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 60.88 -112.4 0.51 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.79 17.7 20.95 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 122.345 -0.222 . . . . 0.0 111.486 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.0 mt -137.96 144.57 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.675 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.454 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 58.8 m-85 -97.21 101.16 12.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.047 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -89.06 144.43 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.355 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 tp -100.81 128.49 46.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.784 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.403 ' HA ' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -135.04 176.27 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 17.6 tp -106.63 113.19 26.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.481 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -152.75 -179.58 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.178 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 127.63 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.586 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 143' ' ' GLU . 7.0 tp10 -94.11 166.1 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.477 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 4.5 t70 -79.51 16.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.525 ' H ' ' HG3' ' A' ' 141' ' ' GLU . 28.2 mt-10 -160.84 121.9 2.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.88 -22.64 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.62 20.43 50.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.374 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 143' ' ' GLU . 3.4 t0 -83.15 124.93 30.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.805 0.336 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.11 -31.06 60.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.303 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.6 m -53.93 -30.04 44.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 18.9 pt -104.05 17.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.484 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.2 mtm -123.7 126.61 46.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.68 177.98 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 136.45 52.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.9 t -126.93 120.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.11 161.94 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.788 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -91.01 133.78 35.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 104.37 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.006 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.82 138.85 14.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.33 159.27 24.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -86.44 129.07 34.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -91.99 -58.0 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -175.67 145.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.29 135.1 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.37 -177.04 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.85 120.49 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.42 135.54 53.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.488 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.39 126.73 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.17 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.0 mt -108.99 114.46 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -117.3 162.59 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 45.3 p30 -107.67 -162.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.95 -28.11 62.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.084 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.58 11.46 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.544 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 t70 67.18 31.36 6.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.72 137.22 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.794 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.46 140.8 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' CD1' ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -68.7 119.7 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.19 153.15 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.026 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.447 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 8.7 mm -92.78 150.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -109.69 178.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.55 -20.52 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.05 22.24 29.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.696 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.0 32.59 21.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.8 134.49 23.04 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.17 94.88 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.621 2.214 . . . . 0.0 112.436 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.88 134.23 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.702 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CE1' ' CD1' ' A' ' 20' ' ' LEU . 98.5 m-85 -83.85 125.97 32.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.52 174.73 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.63 154.95 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtp -120.29 90.12 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 p -106.41 -90.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 42.05 33.24 0.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 111.304 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.6 m -61.33 -16.69 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.669 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.95 -36.14 12.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.635 0.255 . . . . 0.0 111.505 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.4 t -94.04 -22.95 18.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -50.85 -28.69 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.359 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.76 -28.41 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -140.53 33.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.62 137.65 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.222 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -88.31 -23.01 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.819 2.346 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -57.96 146.54 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.162 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -162.82 164.71 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.683 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.02 173.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 5.9 m-85 -77.9 152.15 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.996 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.29 153.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -127.21 118.33 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.982 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.78 122.93 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.994 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mtm -94.82 128.69 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' HD13 ' A' ' 92' ' ' ILE . 22.3 m-85 -96.81 150.38 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -87.39 103.62 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -142.95 137.34 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.4 m -91.32 50.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.27 148.79 93.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.798 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 -43.49 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.559 2.172 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.55 96.27 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.86 131.07 1.78 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.662 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -99.45 125.53 45.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.13 114.43 19.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.3 170.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -150.99 119.14 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.08 130.59 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 142.47 30.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' HB ' ' CD1' ' A' ' 47' ' ' PHE . 10.9 p -101.86 136.39 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -126.85 137.21 53.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.326 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t 178.8 -78.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -28.19 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.173 0.511 . . . . 0.0 109.91 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 123.64 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.078 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.6 118.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.423 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -128.84 148.15 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.816 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -121.14 133.45 55.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 16.2 tp -67.84 102.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 p -110.38 146.83 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -115.99 104.84 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.85 -101.45 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -97.82 -70.71 0.71 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.979 0.418 . . . . 0.0 110.629 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.78 -6.61 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.2 mt -104.92 171.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.9 mm -117.96 132.4 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -143.79 151.65 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CZ ' ' CD1' ' A' ' 22' ' ' ILE . 30.2 m-85 -94.66 121.25 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.42 114.31 28.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.78 97.96 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.657 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -172.02 134.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -72.79 143.98 85.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.17 132.29 51.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 112.162 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.37 174.15 13.3 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.456 2.104 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.18 -37.08 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.754 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.88 113.88 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' TYR . 35.6 mt -98.24 124.96 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -52.35 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.712 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 158.07 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -86.53 -23.05 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 105.33 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.87 156.0 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -63.38 -26.26 68.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.7 pt -88.6 -32.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.14 135.37 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CZ ' HD12 ' A' ' 125' ' ' LEU . 13.7 m-85 -129.33 150.42 50.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.807 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.61 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -74.73 132.94 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -136.04 116.1 13.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -58.89 150.04 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.11 131.28 22.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.245 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.66 168.39 14.31 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.703 2.268 . . . . 0.0 112.204 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.55 41.04 93.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -160.71 -176.27 5.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.644 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.31 -79.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.11 75.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -105.37 168.97 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.63 156.17 43.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.028 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.3 124.27 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -88.25 100.69 13.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 36.0 tt0 -88.8 158.68 18.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.16 148.19 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.5 p -63.04 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.411 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 1.9 t -66.85 -67.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 2.4 p90 -155.01 -170.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.09 24.73 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.461 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -78.36 -11.04 85.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -149.95 145.35 26.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 140' ' ' LYS . 24.0 m-85 -135.2 139.36 44.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 6.8 mt -63.49 114.3 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.797 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -118.44 175.97 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 18.3 t -112.34 142.42 44.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.22 128.17 47.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 99.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.47 109.54 20.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 57.49 -112.94 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -109.69 17.53 21.18 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.513 0.197 . . . . 0.0 111.409 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.4 mt -135.58 144.73 46.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.991 0.424 . . . . 0.0 111.537 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -96.78 100.74 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.123 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.89 132.08 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.007 0.432 . . . . 0.0 111.805 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 151' ' ' PHE . 4.3 tp -85.8 137.88 32.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.573 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.92 -179.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.97 119.68 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -157.3 175.35 14.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.412 ' NZ ' ' HB2' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -118.79 101.42 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.41 170.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.79 -30.72 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.53 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.49 123.85 41.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.504 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.08 -22.8 65.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.07 30.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.217 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.65 123.06 33.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -25.56 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 p -54.39 -29.2 48.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 21.3 pt -106.73 15.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.432 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 7.0 mtt -111.98 132.18 54.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.938 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 136' ' ' LEU . 59.2 m-85 -118.66 173.11 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.3 129.39 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.1 t -113.86 129.93 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.041 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -123.87 161.9 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.11 131.87 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.27 104.1 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.989 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.95 0.405 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.96 173.11 7.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 151.62 23.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -73.24 117.84 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.42 -53.11 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -176.34 127.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.43 120.54 41.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -142.75 177.28 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 mt -102.29 117.59 35.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' HG23 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -123.56 134.45 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.639 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 t -81.13 135.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -109.26 128.59 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -135.69 161.94 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.45 -165.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.368 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.41 -28.53 65.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.69 11.94 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.47 21.35 12.44 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.33 128.78 41.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.236 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.25 139.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.294 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.51 137.68 57.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.46 156.64 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.425 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 12.7 mm -99.07 144.03 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.681 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.4 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -57.33 -22.03 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.16 24.97 29.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.576 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 44.78 30.42 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.486 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.96 139.18 21.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 94.99 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.458 2.105 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -107.27 153.5 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -100.69 125.04 47.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.74 174.74 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.13 167.4 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.74 74.07 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -86.11 153.04 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.42 27.07 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 m -97.35 -69.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.83 -40.11 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.69 -10.96 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -52.61 -30.46 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.74 26.68 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.32 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -176.86 47.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.03 145.5 50.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.56 -43.23 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.672 2.248 . . . . 0.0 112.264 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 62.84 176.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m 67.73 94.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.375 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -63.26 -172.13 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.204 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.425 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 2.6 m-85 -77.93 144.94 36.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -68.99 133.92 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.1 mm -111.02 114.61 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.07 125.14 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 mtm -99.95 122.13 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.761 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 92' ' ' ILE . 17.7 m-85 -96.01 144.06 26.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -75.73 120.3 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -141.49 149.83 41.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -102.58 38.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -73.99 156.02 88.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -53.59 -65.54 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 112.305 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -146.84 88.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.552 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . -172.62 134.57 3.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.519 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.89 113.86 25.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.856 0.36 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 110.06 15.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.999 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -126.33 170.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.272 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.1 p -150.22 117.09 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.04 129.47 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 128.74 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.35 139.89 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -129.14 133.73 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.276 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.05 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -26.77 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 0.0 109.854 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.32 123.51 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.126 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.73 118.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.341 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.68 132.5 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.2 m -118.62 135.39 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 tp -62.34 106.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -118.65 133.46 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.1 p -95.45 101.56 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.49 -152.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -40.28 -31.96 0.16 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 111.722 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -77.77 162.42 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 39.9 mm -101.5 137.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -156.69 137.67 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -76.28 98.1 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.43 118.66 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.05 97.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.7 ptm -177.75 138.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -72.97 139.97 80.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 130.04 37.2 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.462 2.108 . . . . 0.0 112.23 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.51 157.84 57.73 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.36 2.04 . . . . 0.0 112.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.78 -38.1 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.41 98.56 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.409 HD11 ' CE2' ' A' ' 52' ' ' TYR . 19.7 mt -82.81 127.81 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -33.09 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.96 158.15 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -86.96 -16.41 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 101.1 4.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 162.65 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.72 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.39 -20.44 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -96.02 -28.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.376 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.85 137.17 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.259 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -129.43 150.75 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.39 91.96 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.282 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.04 119.91 34.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.552 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.3 tpt180 -143.52 146.46 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.119 0.485 . . . . 0.0 111.03 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -55.93 142.61 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 t -94.26 138.96 22.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -85.32 117.94 1.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 109' ' ' HIS . . . 114.91 30.68 2.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.35 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 6.7 m-70 -154.0 -175.48 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -70.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -154.1 51.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.97 160.51 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 16.7 mmt -124.12 153.53 41.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.35 129.01 49.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.554 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 25.0 m-85 -96.36 115.05 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.912 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 26.8 tt0 -112.01 158.82 19.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 140.33 55.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.838 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.9 p -58.44 -47.51 83.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -160.09 179.34 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.33 -175.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.08 -26.6 22.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -134.9 116.05 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 44.8 m-85 -119.29 144.34 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.745 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 5.2 mt -66.85 138.76 57.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.558 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -145.03 -177.05 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 15.1 p -117.98 112.5 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.8 129.71 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.61 104.01 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.44 102.34 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 60.63 -110.6 0.45 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.599 0.238 . . . . 0.0 111.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.94 141.04 40.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 111.289 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.422 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -98.36 100.25 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.371 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -87.87 123.84 33.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.6 tp -70.12 138.56 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.35 -179.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 13.3 tp -107.52 113.87 27.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.637 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -149.01 174.54 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.08 100.87 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -60.36 178.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.7 -27.49 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.88 132.82 49.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.0 -24.05 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.57 23.21 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.347 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.51 121.63 27.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.743 0.306 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -25.68 44.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.269 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.6 m -54.76 -32.58 60.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.931 0.396 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 21.9 pt -102.31 16.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.048 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 10.5 mtt -111.05 122.34 47.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 3.1 m-85 -110.26 167.77 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.37 132.34 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.4 144.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -135.14 161.94 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.35 133.16 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.6 93.61 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 34.3 t0 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.922 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.823 0.344 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.48 168.55 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.82 150.47 22.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -76.3 108.54 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.01 -58.49 3.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -174.97 130.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -106.96 124.59 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -150.9 -176.96 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.26 125.24 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.96 129.65 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.64 140.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -120.73 115.69 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -108.21 165.72 11.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -108.79 -169.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.31 -23.96 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.914 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -90.31 11.52 21.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.362 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t0 68.65 28.99 5.55 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 111.028 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -92.41 -176.3 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.99 134.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 111.161 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' CD1' ' CZ ' ' A' ' 30' ' ' PHE . 12.5 tp -71.59 125.38 26.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -145.97 160.56 41.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 11.0 mm -91.62 145.57 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -106.14 -175.85 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.5 -20.53 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.47 18.52 44.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 57.74 38.71 27.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -106.79 139.69 20.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 96.33 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.549 2.166 . . . . 0.0 112.399 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.78 140.49 48.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 79.1 m-85 -95.33 129.18 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.62 140.64 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.31 121.2 14.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mmm -136.77 97.54 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 p -66.31 144.95 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.34 27.23 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -97.36 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -95.38 -38.95 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.84 -11.0 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -51.51 -35.82 42.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.795 0.331 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.78 48.5 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 139.7 61.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.69 -62.82 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.489 2.126 . . . . 0.0 112.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -155.29 -179.74 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -106.88 165.23 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.26 175.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 1.9 m-85 -77.9 159.53 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.253 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.67 142.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.8 mm -117.14 120.68 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.54 116.95 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.782 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtm -89.22 124.88 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' CE2' HD13 ' A' ' 92' ' ' ILE . 36.3 m-85 -99.92 145.35 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -81.55 117.71 22.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.92 164.12 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -102.56 3.23 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.444 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -103.13 144.48 28.72 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -88.78 18.54 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.977 2.451 . . . . 0.0 112.915 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -147.38 96.67 2.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.899 0.38 . . . . 0.0 111.073 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.1 111.67 1.48 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.68 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 ttp -86.07 116.88 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 112.65 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.39 168.89 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.16 116.25 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mp -89.02 130.84 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.12 131.01 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.44 141.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -135.75 139.97 43.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -75.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.784 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 123.8 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.253 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.02 120.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.299 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -136.88 147.03 46.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 m -123.44 144.84 49.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.2 tp -77.96 118.22 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 p -128.16 135.75 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.7 p -104.33 101.59 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -95.96 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -97.85 -76.59 0.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.924 0.393 . . . . 0.0 110.536 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -6.8 9.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.981 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.72 167.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 37.9 mm -102.99 139.96 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 p -143.74 150.07 38.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CE2' HD13 ' A' ' 22' ' ' ILE . 11.1 m-85 -100.94 123.54 45.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 118.97 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.7 99.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.4 ptm -176.67 127.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -63.0 153.08 82.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 132.61 30.66 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.55 2.167 . . . . 0.0 112.268 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.12 171.32 15.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.555 2.17 . . . . 0.0 112.375 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -97.05 -42.82 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -128.46 125.89 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 52' ' ' TYR . 47.7 mt -109.99 143.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 13.78 23.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.75 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -128.28 143.47 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.778 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 -1.73 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.561 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.3 100.02 0.51 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.81 170.84 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -71.35 -21.38 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 pt -93.73 -30.0 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -59.81 135.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -129.69 138.37 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.54 100.23 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -85.82 137.89 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.44 120.78 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.438 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 1.6 m -54.28 167.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 54.3 t -107.24 136.43 19.53 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.68 128.77 16.58 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.652 2.235 . . . . 0.0 111.751 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.26 -26.64 23.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.582 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -139.47 87.47 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.247 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.53 -16.57 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.64 -11.26 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -105.69 152.48 23.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.146 0.498 . . . . 0.0 111.319 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.438 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -141.78 167.81 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.169 -179.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -132.04 137.34 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -96.99 111.44 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -107.15 157.42 17.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.4 t -68.3 153.29 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.5 p -66.34 -42.45 88.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -57.49 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.07 -178.16 6.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.98 -175.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.681 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.64 -21.78 29.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.691 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.34 127.38 17.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.8 0.333 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 9.4 m-85 -122.02 140.17 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.93 110.34 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.22 177.46 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.3 p -120.4 132.36 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 126.8 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 0.4 OUTLIER -85.24 106.57 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -121.18 115.45 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 59.94 -117.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -109.62 17.51 21.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.309 -0.245 . . . . 0.0 111.246 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.1 mt -130.98 142.86 50.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.068 0.461 . . . . 0.0 111.455 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -102.27 100.33 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.958 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 166.3 18.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.348 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.78 138.13 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.12 175.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.6 tp -104.54 109.2 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.602 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -141.91 176.08 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.97 99.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.47 178.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.799 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.88 -26.32 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.6 130.55 34.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.89 -23.37 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.95 19.74 50.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.288 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.91 121.69 27.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.672 0.273 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.56 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -55.94 -28.46 57.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 20.8 pt -108.61 13.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 9.4 mtm -112.73 134.99 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -124.47 176.99 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.15 128.28 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.65 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.73 118.04 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 161.3 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.05 125.59 37.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.13 104.88 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.893 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.726 0.298 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -57.55 151.91 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.66 164.81 28.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -86.11 117.94 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -86.77 -57.48 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -171.63 143.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -110.07 121.09 44.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -144.85 176.18 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -101.45 148.11 25.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 m -143.17 140.11 30.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.436 ' HA ' HD11 ' A' ' 46' ' ' ILE . 95.8 t -85.77 104.06 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.9 mt -87.57 110.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -111.41 158.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.42 -167.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.07 -24.95 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.074 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.23 11.58 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.324 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.4 29.83 3.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -92.85 -175.2 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.84 133.41 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD12 ' CE2' ' A' ' 30' ' ' PHE . 13.6 tp -64.79 142.82 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.404 ' CE1' ' HE2' ' A' ' 33' ' ' MET . 0.3 OUTLIER -156.52 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 0.0 111.068 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.43 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 9.3 mm -104.99 145.6 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.94 -177.83 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -20.19 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.12 19.28 38.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.742 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 t30 57.87 47.54 15.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -108.92 132.86 20.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HD3' ' CE1' ' A' ' 83' ' ' PHE . 71.7 Cg_endo -76.59 100.15 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.477 2.118 . . . . 0.0 112.174 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.73 145.39 49.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.037 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 20' ' ' LEU . 86.0 m-85 -99.35 123.51 43.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -135.88 157.63 46.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.53 119.44 29.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.404 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 35.9 mtp -101.9 109.47 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.05 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -98.58 -164.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 73.73 24.66 2.12 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.083 0.468 . . . . 0.0 109.894 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -52.57 -23.6 6.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.459 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.98 -41.05 59.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.873 0.368 . . . . 0.0 111.255 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.06 -22.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.4 37.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.084 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -47.67 -29.1 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.41 30.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.3 149.04 43.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.92 -61.8 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.645 2.23 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.38 135.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 m -135.48 119.15 17.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.951 0.405 . . . . 0.0 111.327 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.517 HG12 ' H ' ' A' ' 47' ' ' PHE . 4.0 tt -103.28 -155.45 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.122 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.517 ' H ' HG12 ' A' ' 46' ' ' ILE . 43.7 m-85 -77.84 128.04 33.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.9 mp -74.05 131.37 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.0 mm -115.59 121.61 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.976 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -108.86 122.21 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mtm -92.41 128.76 38.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -97.01 155.7 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 tptt -89.57 111.39 22.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -151.42 131.43 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 m -87.82 85.51 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -111.12 152.16 43.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.25 -58.0 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.289 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 96.1 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.37 138.66 3.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.41 112.06 24.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.72 104.39 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.0 m -129.55 170.45 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.273 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.45 116.66 9.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.772 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.11 134.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' OG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 t -148.03 146.49 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 p -102.18 137.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -131.12 140.63 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 111.346 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.56 -79.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.46 -26.95 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 109.848 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.84 123.08 4.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -65.82 121.82 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.336 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.09 129.6 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.791 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.464 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 26.5 m -101.75 138.81 38.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 18.4 tp -66.58 103.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.681 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.77 125.87 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.1 p -101.7 103.26 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.08 -101.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -98.15 -69.47 0.76 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.888 0.375 . . . . 0.0 110.51 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -6.73 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.173 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.7 mt -106.95 164.43 4.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.858 0.361 . . . . 0.0 110.963 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.5 mm -110.09 131.78 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 p -139.12 135.78 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 12.3 m-85 -82.36 113.8 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.77 128.57 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.94 97.91 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.7 ptm -173.99 129.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.98 155.73 70.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.79 120.6 7.8 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.505 2.136 . . . . 0.0 112.162 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.55 176.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.364 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -109.14 -30.71 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.767 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -155.91 92.02 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -75.58 126.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -54.15 48.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.06 158.13 23.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 2' ' ' PHE . 46.5 p -86.54 -21.08 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.56 103.29 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.82 161.83 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -69.07 -19.78 64.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 1.9 pt -97.67 -29.74 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mm -59.09 143.32 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -132.81 152.29 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -112.1 94.0 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -76.15 135.38 39.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -139.15 116.96 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.0 p -60.56 163.49 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.56 135.98 21.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.86 160.0 21.29 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.705 2.27 . . . . 0.0 112.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.14 -84.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.75 -47.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -71.95 175.3 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -115.98 52.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -79.8 164.43 23.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -138.07 164.39 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -137.91 133.75 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.519 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 27.7 m-85 -95.26 126.78 40.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.416 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 30.0 tt0 -116.01 158.84 22.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 t -65.52 139.81 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -59.35 -36.33 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -60.88 -69.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -160.02 -178.42 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -176.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.71 -25.34 15.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.54 142.7 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 13.5 m-85 -139.27 160.35 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 10.9 mt -70.46 131.61 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.71 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -137.49 167.85 20.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 p -113.76 125.54 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.19 126.89 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.76 103.25 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.85 117.07 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 59.37 -117.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.58 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.56 17.51 21.29 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.337 -0.227 . . . . 0.0 111.421 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.8 mt -133.94 144.16 48.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.519 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -101.71 100.34 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.998 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 170.92 14.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.7 134.33 53.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.686 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.72 174.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.195 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 17.8 tp -99.29 106.32 18.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -142.58 169.03 18.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 98.9 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.44 176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -31.33 39.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.66 123.7 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.67 -24.41 64.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.06 24.81 26.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -87.62 123.85 32.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -24.14 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 p -54.84 -29.02 54.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.7 pt -109.93 13.13 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.429 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 6.1 mtm -111.89 133.01 54.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.599 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -125.03 174.61 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 140.73 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.4 t -129.55 118.56 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -112.19 161.94 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -89.42 133.78 34.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.19 96.15 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 9.1 t80 -127.0 153.22 46.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.64 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.16 161.41 32.0 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.759 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.57 134.89 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.71 -49.75 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.854 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -177.1 142.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -109.74 127.73 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 -177.68 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.8 mt -107.95 124.5 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -129.67 133.83 47.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.556 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.25 133.32 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.5 mt -115.29 108.32 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.049 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -101.9 156.8 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.79 -172.86 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.18 -30.58 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.97 11.48 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.364 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.58 29.9 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -102.16 136.03 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.03 136.83 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 30' ' ' PHE . 19.5 tp -67.92 145.95 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -156.55 166.83 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 47' ' ' PHE . 7.7 mm -101.09 150.35 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -176.33 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -61.56 -19.46 62.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.49 14.49 56.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.723 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 55.76 69.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -141.12 141.68 24.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.9 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.49 2.127 . . . . 0.0 112.319 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mt -114.44 137.18 52.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 20' ' ' LEU . 32.2 m-85 -87.57 124.57 33.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -136.91 166.95 22.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.13 152.37 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.1 mmm -124.34 133.89 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -101.72 137.45 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -132.97 22.94 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -97.42 -62.02 1.31 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 -45.99 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.73 -18.08 61.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -51.75 -27.56 12.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.274 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.71 83.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.96 46.5 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.46 135.64 94.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -90.42 -18.94 1.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.841 2.361 . . . . 0.0 112.948 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.97 146.86 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 111.231 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.64 146.15 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -168.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.997 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CE2' HG12 ' A' ' 22' ' ' ILE . 52.3 m-85 -78.19 166.32 22.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.063 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -97.63 123.64 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.575 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.9 mm -98.12 125.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.351 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -108.02 107.59 18.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.797 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.5 mtm -80.97 133.45 35.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 98.1 m-85 -107.44 162.55 13.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.89 120.91 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.731 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -113.71 138.74 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -68.89 -66.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.84 143.83 36.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 73.39 3.98 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -126.25 79.91 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.412 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 81.69 159.66 24.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.584 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 ttm -97.14 112.16 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.46 112.27 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -137.68 170.59 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.512 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.66 121.24 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.29 121.41 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 136.71 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 13.7 p -92.9 136.3 25.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -131.83 137.76 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.314 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 -78.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.831 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 -27.88 13.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.591 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.69 127.91 10.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.925 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.73 118.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.444 . . . . 0.0 111.295 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 m -133.23 144.42 49.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 m -122.78 133.1 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.04 116.84 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -123.07 128.73 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.0 101.47 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -155.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.61 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -42.54 -30.42 0.35 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.534 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.0 142.85 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.403 HG13 ' HA ' ' A' ' 137' ' ' ILE . 36.1 mm -90.26 127.35 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.5 p -147.71 141.15 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -81.38 116.79 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.6 133.05 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.57 100.31 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -178.01 129.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -66.87 148.62 98.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 127.08 24.47 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.456 2.104 . . . . 0.0 112.214 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.67 155.43 59.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.438 2.092 . . . . 0.0 112.209 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -91.2 -29.81 17.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.593 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -159.69 102.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.0 mt -81.05 150.96 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 3.4 pttt -81.63 -30.46 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.97 158.11 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -85.78 -12.28 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.409 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 101.7 3.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.82 172.67 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -75.7 -18.13 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 33.4 pt -95.76 -30.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.443 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 44.1 mm -59.24 140.58 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -131.49 146.22 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.424 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 5.6 m-85 -103.54 93.47 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.425 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 24.8 tt0 -94.22 115.66 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 7.9 tpt180 -138.7 145.81 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 111.191 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.98 143.94 46.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.412 ' CG1' ' HD2' ' A' ' 107' ' ' PRO . 5.4 t -93.11 140.13 23.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.412 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 51.3 Cg_exo -53.85 139.24 69.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.09 -135.59 7.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -119.32 -46.58 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -59.35 167.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -99.72 39.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.62 156.53 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 17.7 mmt -126.43 151.79 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -123.45 130.05 52.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 8.0 m-85 -96.56 111.51 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.762 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -110.6 158.56 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -67.8 148.81 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.424 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 91.0 p -63.49 -41.36 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 13.2 t -59.21 -76.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CG ' ' O ' ' A' ' 119' ' ' SER . 94.7 m-85 -157.51 -176.15 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.06 -174.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.46 -14.94 57.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.726 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.19 117.07 8.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 20.6 m-85 -119.51 141.64 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 127.11 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -132.14 174.06 10.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.74 118.31 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.798 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.26 128.26 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 107.79 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -121.3 102.5 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 61.38 -113.4 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.52 17.54 21.28 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.599 0.238 . . . . 0.0 111.25 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -136.76 139.83 42.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.409 . . . . 0.0 111.217 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.91 100.83 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.239 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.88 123.47 32.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.96 137.66 45.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.403 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -146.38 -179.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.401 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 8.9 tp -113.89 112.73 23.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.427 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.02 176.89 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.322 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.56 93.48 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -60.62 173.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -28.35 39.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.47 123.64 41.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.94 -22.86 62.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.14 22.43 36.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.222 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.89 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -26.06 61.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -54.85 -28.43 49.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 23.6 pt -105.51 11.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.498 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 24.0 mtt -106.18 148.2 28.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.724 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -129.93 171.68 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.18 130.68 52.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 12.8 t -115.27 143.44 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.308 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.37 161.97 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.23 131.33 34.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -93.37 128.6 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.818 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.793 0.33 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.52 160.0 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 123.03 1.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.416 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tpmt? -59.44 118.59 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 tt -81.78 -55.99 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -176.73 142.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.19 123.79 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -146.81 158.8 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.99 123.69 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.3 135.49 48.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.7 t -81.56 130.24 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -108.74 112.74 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 169.85 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.429 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 49.3 p30 -122.27 -163.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.62 -26.84 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.45 11.51 19.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.419 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 63.95 31.57 13.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -107.46 141.88 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.58 138.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD12 ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -63.93 131.99 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.8 157.19 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 9.9 mm -99.7 141.04 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -105.97 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.22 -23.47 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.42 30.82 8.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 44.93 34.5 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.796 0.332 . . . . 0.0 111.437 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 137.38 22.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.11 97.61 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.531 2.154 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.29 134.58 54.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.715 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 14' ' ' ASN . 93.9 m-85 -83.79 132.46 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -137.98 140.72 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.33 122.63 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.38 149.84 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 p -87.79 -48.65 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t0 59.69 30.51 20.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -97.29 -58.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.32 -39.22 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -12.27 60.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.344 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.35 -59.01 2.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.182 0.515 . . . . 0.0 111.141 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.57 48.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.228 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.61 38.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.56 143.15 40.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.69 -43.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.523 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -102.9 156.92 17.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -145.23 -170.01 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.78 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 46' ' ' ILE . 0.1 OUTLIER -71.24 160.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -77.78 146.93 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.944 -179.576 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -72.01 157.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.4 mm -128.84 121.36 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 114.32 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.5 mtm -88.64 129.46 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.415 ' CE1' ' HE3' ' A' ' 4' ' ' LYS . 13.4 m-85 -102.77 157.11 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.043 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -98.9 115.34 28.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.41 137.51 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -92.13 60.1 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -83.57 162.13 54.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.17 -59.26 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.642 2.228 . . . . 0.0 112.301 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -161.61 93.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.26 115.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.589 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 ttm -74.44 117.1 15.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 118.36 21.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -142.29 169.63 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.9 p -147.5 112.45 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.3 mt -83.86 136.82 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.48 138.66 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.105 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.84 143.82 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.582 ' HD3' HD12 ' A' ' 71' ' ' ILE . 17.3 mttt -135.49 136.38 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.528 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t 179.12 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.851 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -102.18 -26.52 13.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.931 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 125.07 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.121 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.582 HD12 ' HD3' ' A' ' 67' ' ' LYS . 18.3 mt -64.76 109.33 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.43 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -119.0 145.11 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -117.95 139.88 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 83' ' ' PHE . 65.0 tp -77.07 109.55 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -121.78 145.61 47.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 27.3 p -109.24 114.96 29.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.697 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -100.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.03 -67.77 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.398 . . . . 0.0 110.613 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 -6.52 7.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.4 mt -107.4 169.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.9 mm -108.59 148.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.07 162.26 39.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.421 ' CE1' HD12 ' A' ' 74' ' ' LEU . 9.6 m-85 -104.83 118.6 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.44 108.63 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.99 97.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.696 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -171.18 136.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -68.93 152.19 96.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.682 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 132.29 31.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.63 174.96 11.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.365 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -104.92 -47.46 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.4 mt -85.91 141.72 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -32.09 40.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -86.29 149.73 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -12.19 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 100.16 3.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.88 152.73 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -59.54 -24.84 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -88.62 -30.76 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.7 mm -61.44 128.92 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.02 146.66 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 7.4 m-85 -105.39 91.33 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -75.12 132.36 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -136.68 120.34 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.4 158.55 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.84 133.21 20.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.8 101.5 1.18 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -170.42 -107.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.56 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -116.51 -66.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.47 171.12 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -97.7 48.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.76 164.53 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -138.82 165.52 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.8 121.98 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.505 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 34.6 m-85 -86.03 120.77 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 4.5 tt0 -105.01 158.83 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 139.31 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 5.9 p -60.48 -42.24 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 t -58.63 -67.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.06 -179.54 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.67 -175.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.82 -45.82 1.26 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.04 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 7.6 m-85 -122.44 150.37 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 115' ' ' PHE . 5.6 mt -67.31 135.93 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -146.91 160.76 41.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.34 131.45 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.1 132.76 51.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' NZ ' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -79.46 131.53 36.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.52 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.416 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 6.4 mt-10 -144.9 95.99 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.416 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 83.6 mtt180 61.71 -105.85 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.369 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -110.2 17.49 20.9 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 122.244 -0.285 . . . . 0.0 111.695 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.3 mt -138.91 139.55 38.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.154 0.502 . . . . 0.0 111.917 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 129' ' ' LYS . 6.6 m-85 -102.99 100.15 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.326 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -81.79 171.11 14.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.542 -178.726 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 13.8 tp -124.74 134.73 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -179.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.59 118.38 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -153.92 177.77 10.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 111.076 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 101.7 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.698 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.53 171.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -29.77 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.8 125.41 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.501 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.8 -22.3 66.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.019 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.39 21.25 43.72 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.212 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -86.73 121.1 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -25.96 33.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.7 p -54.28 -30.16 49.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 22.6 pt -107.49 15.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 9.2 mtt -110.01 135.84 50.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.6 171.5 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.68 140.62 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.98 135.56 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 161.84 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.56 132.49 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.02 89.53 7.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.835 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.84 159.0 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.8 165.29 26.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -97.83 114.64 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -77.65 -59.03 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -172.65 142.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 t -112.16 130.56 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 176.56 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 mt -94.46 126.18 39.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -127.36 129.53 47.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.48 128.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.7 mt -111.44 116.02 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.088 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -112.63 155.16 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.66 -167.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 147' ' ' ARG . 3.0 mm? -68.67 -31.43 70.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -89.81 11.5 19.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.38 32.85 2.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -100.32 131.81 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.23 138.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 30' ' ' PHE . 21.4 tp -77.14 114.98 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.65 158.81 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG12 ' CE1' ' A' ' 47' ' ' PHE . 9.3 mm -89.01 147.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.69 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.32 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.66 -19.72 59.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.86 18.9 36.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.691 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 56.99 64.31 1.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.935 0.398 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.4 mtt85 -133.79 134.59 23.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 27' ' ' ARG . 9.3 Cg_exo -71.97 105.48 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.646 2.231 . . . . 0.0 112.185 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mt -127.15 133.84 50.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.909 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -87.31 133.63 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -158.29 162.15 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.83 159.54 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.03 103.11 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.19 -92.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.4 38.01 4.86 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.6 m -47.76 -28.68 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -80.86 -30.9 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t -94.0 -11.03 31.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.522 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -46.18 -59.47 2.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.395 0.617 . . . . 0.0 110.847 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.54 -26.9 68.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -117.13 57.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -162.4 134.49 4.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.245 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -91.81 -12.79 1.9 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.98 2.453 . . . . 0.0 112.83 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 142.04 12.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.933 0.397 . . . . 0.0 111.327 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -164.62 166.13 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.764 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.94 177.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -77.99 160.92 27.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.289 -179.356 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.34 139.85 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -115.09 133.43 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -116.08 124.13 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 mtm -97.59 124.52 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -88.23 152.39 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -99.97 103.54 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.54 142.99 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -83.27 78.96 9.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -92.92 148.18 35.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.498 2.132 . . . . 0.0 112.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -156.25 91.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.58 125.24 0.77 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -89.03 118.85 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.0 104.92 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 m -133.71 166.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 p -148.52 132.5 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.5 mp -99.48 138.99 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.22 137.98 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.43 144.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -132.26 145.84 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.031 0.444 . . . . 0.0 111.353 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.74 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -25.82 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.835 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.76 124.76 4.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.202 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -68.04 122.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.3 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -132.1 148.68 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.3 m -129.33 140.22 51.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.8 tp -68.75 103.02 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 130.66 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 23.6 p -104.55 105.01 14.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -54.69 -100.09 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -97.96 -69.17 0.77 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.941 0.4 . . . . 0.0 110.712 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -6.59 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.282 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -107.94 172.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.9 mm -115.11 139.37 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 m -149.01 139.72 22.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.438 ' CZ ' ' CD1' ' A' ' 22' ' ' ILE . 22.0 m-85 -84.28 115.17 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -98.41 125.53 43.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.56 97.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -175.17 147.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -79.47 154.85 76.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.95 120.88 8.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.59 2.193 . . . . 0.0 112.174 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.27 154.79 60.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.379 2.053 . . . . 0.0 112.31 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -96.26 -24.98 15.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.93 87.26 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.414 HD12 HG23 ' A' ' 92' ' ' ILE . 26.7 mt -69.99 148.18 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 35.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -148.34 153.42 38.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -85.6 -5.48 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 100.01 1.72 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.95 150.62 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -60.41 -22.13 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.24 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.6 pt -92.7 -29.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.387 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.7 141.67 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -132.12 153.09 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.41 96.45 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.175 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.5 129.9 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.747 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.7 120.63 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.1 p -56.03 166.88 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 41.7 t -116.23 136.22 22.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.63 143.92 15.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.645 2.23 . . . . 0.0 112.259 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.12 44.3 36.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -159.2 -177.65 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.325 . . . . 0.0 110.674 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -72.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -160.12 40.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -71.0 154.19 42.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -134.49 168.3 19.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -140.6 126.68 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -88.1 119.85 28.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tm-20 -108.62 158.74 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 135.56 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -58.78 -40.68 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 0.1 OUTLIER -60.62 -72.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 21.8 p90 -160.05 179.73 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.0 -174.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 -27.71 18.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -132.52 109.95 10.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 5.5 m-85 -114.4 146.41 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.4 121.72 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.682 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.65 167.16 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.08 134.65 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -108.45 136.58 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -87.02 108.74 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -123.25 107.96 12.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 59.61 -114.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -109.5 17.58 21.24 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.557 0.218 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -131.34 137.58 48.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.464 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 32.1 m-85 -98.22 100.23 11.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.731 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.31 169.86 16.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.34 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.1 tp -129.58 132.07 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.73 178.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.96 111.08 23.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.597 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.6 177.06 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.25 100.08 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.48 171.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.96 -30.36 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -125.6 125.23 42.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.423 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.6 18.87 55.58 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.322 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.03 125.19 31.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.468 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.44 -25.79 51.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.143 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.411 ' N ' ' HD3' ' A' ' 147' ' ' ARG . 2.8 p -55.74 -26.59 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 18.4 pt -108.62 13.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.451 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 8.7 mtm -117.85 148.16 42.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.732 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 2.4 m-85 -137.91 177.83 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.44 131.76 54.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.715 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.99 134.89 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -134.08 161.88 33.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.67 132.26 34.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.16 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.885 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 2.1 t80 -137.43 156.67 47.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -159.91 179.96 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.268 -0.968 . . . . 0.0 113.007 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.05 132.0 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 111.238 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -88.48 -48.65 7.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.643 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -177.28 137.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 132.24 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -149.24 163.88 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.9 mt -96.5 122.99 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.414 ' O ' HG23 ' A' ' 46' ' ' ILE . 3.8 m -126.9 136.77 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.13 137.02 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.52 112.29 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.337 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.8 mtt85 -116.4 145.64 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.699 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' ND2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 t-20 -85.64 -168.46 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -74.48 -27.26 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -89.91 11.61 19.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 71.51 36.67 1.25 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -110.51 129.54 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.0 t -84.03 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.45 148.42 37.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.82 164.69 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 HG12 ' CE2' ' A' ' 47' ' ' PHE . 15.4 mm -100.34 151.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.801 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -114.74 -179.27 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.81 -20.38 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.06 22.08 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 30.4 m120 58.34 31.85 21.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -93.36 132.87 29.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -74.07 97.46 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.384 2.056 . . . . 0.0 112.42 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.74 141.07 48.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CZ ' ' ND2' ' A' ' 14' ' ' ASN . 66.2 m-85 -87.09 133.69 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -137.32 170.61 15.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -96.3 127.05 41.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.09 131.65 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.2 p -97.46 -71.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.72 26.71 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.6 t -97.37 -67.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.49 -48.55 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -17.56 62.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.216 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -47.78 -28.4 2.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.296 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.78 -26.35 45.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -138.02 38.22 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.49 137.68 30.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -87.21 -35.72 0.1 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.861 2.374 . . . . 0.0 112.835 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 76.71 0.34 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.653 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 m -131.32 117.73 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.414 HG23 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -88.44 -166.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.412 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.455 ' CE2' HG12 ' A' ' 22' ' ' ILE . 49.7 m-85 -78.04 129.42 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.06 131.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.727 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.41 108.45 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.19 110.08 22.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 mtm -81.06 131.03 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 2' ' ' PHE . 8.8 m-85 -102.53 149.03 24.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -77.59 119.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -112.97 127.76 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -69.06 -40.08 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.24 139.05 22.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.7 92.48 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -165.37 105.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.98 128.68 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 48.9 ttp -70.81 120.93 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.778 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.76 116.5 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.87 170.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.24 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.38 109.29 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' CG2' ' CB ' ' A' ' 47' ' ' PHE . 1.7 mp -82.67 125.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.81 139.43 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 11.8 p -97.66 136.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -125.21 137.54 54.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.362 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 t 178.8 -83.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.04 -32.64 16.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 123.68 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.549 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.4 118.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.225 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 m -126.25 137.9 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 m -114.47 138.84 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' A' ' 83' ' ' PHE . 11.0 tp -74.39 120.87 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -123.53 141.45 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.04 101.54 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.92 -154.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -40.79 -31.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.612 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.52 -33.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mt -74.66 148.38 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.886 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.4 ' CG1' ' HA ' ' A' ' 137' ' ' ILE . 35.9 mm -102.67 137.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -152.09 145.93 25.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.419 ' CE1' HD11 ' A' ' 74' ' ' LEU . 24.6 m-85 -88.93 105.39 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.76 123.5 31.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 100.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -177.75 124.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -63.01 151.13 86.75 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.88 133.4 41.45 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.451 2.1 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.18 160.54 32.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.519 2.146 . . . . 0.0 112.441 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.1 -30.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -141.93 124.59 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.7 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.421 HD12 ' CE2' ' A' ' 52' ' ' TYR . 6.7 mt -108.57 131.04 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -54.81 -38.54 67.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.985 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -105.08 158.14 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -17.72 41.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 100.01 5.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.98 165.42 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -66.75 -16.69 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 pt -99.91 -29.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 111.28 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.2 mm -59.03 139.16 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE2' HD22 ' A' ' 74' ' ' LEU . 49.6 m-85 -132.04 155.24 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.785 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.89 102.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -86.77 131.92 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.13 121.44 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.35 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.1 151.07 19.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.7 t -89.99 140.1 27.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.01 121.97 10.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.453 2.102 . . . . 0.0 112.141 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.32 -50.97 3.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.366 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -93.38 82.83 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 0.0 110.666 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.4 -18.23 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.406 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.75 -19.96 47.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.236 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.07 153.73 17.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.969 0.414 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -146.23 163.61 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.211 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -127.96 137.11 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -97.09 114.03 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.1 tt0 -108.41 150.95 26.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.94 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -60.12 -32.72 71.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.68 -70.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -160.04 173.17 16.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -175.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.52 -45.95 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -115.57 130.66 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 18.6 m-85 -127.98 141.54 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.95 108.32 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -112.42 -175.29 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.207 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.32 132.21 56.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.97 125.23 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -78.93 95.61 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.687 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.55 110.09 21.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 60.69 -114.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.61 17.43 21.33 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 122.345 -0.222 . . . . 0.0 111.427 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.0 mt -136.07 139.78 43.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.96 0.409 . . . . 0.0 111.428 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -97.94 100.24 11.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.91 179.247 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -82.62 170.91 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 5.5 tp -115.65 119.91 37.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.4 ' HA ' ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -129.26 176.5 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 17.0 tp -107.49 108.47 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.456 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.29 175.67 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.271 -179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.04 98.78 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.652 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -60.31 175.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.8 -32.39 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -117.33 123.21 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.813 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.3 -25.24 64.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.061 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.22 17.11 58.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -78.87 119.11 21.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -25.54 11.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 m -53.95 -38.33 64.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 38.9 pt -97.08 13.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.308 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 14.4 mtm -116.69 126.99 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.655 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -113.13 177.14 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.63 130.0 54.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.815 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.2 t -119.72 127.22 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.046 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.96 161.84 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.92 133.04 33.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.81 112.59 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.817 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.849 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.936 0.398 . . . . 0.0 111.274 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t80 -133.57 154.91 50.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.619 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.65 171.53 36.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.767 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 133.33 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -92.37 -57.35 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -169.73 133.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -101.08 132.25 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -149.75 175.64 11.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.84 126.62 50.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 46' ' ' ILE . 1.8 m -128.81 140.54 51.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.479 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.07 137.89 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.8 mt -113.93 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.121 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.43 153.22 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.92 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -110.82 -173.7 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.015 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -57.79 -24.81 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.268 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.92 11.31 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 59.09 25.66 14.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.671 0.272 . . . . 0.0 111.302 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.81 -163.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.42 133.58 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 19.7 tp -59.5 149.86 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.6 164.96 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 111.067 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 HG12 ' CE2' ' A' ' 47' ' ' PHE . 10.6 mm -99.36 148.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -111.03 171.49 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.0 -25.7 5.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.94 38.24 3.38 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 44.91 35.81 1.66 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.48 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.27 129.09 38.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.82 103.09 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.387 2.058 . . . . 0.0 112.215 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 mt -118.27 139.43 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.963 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 32.3 m-85 -94.84 119.38 33.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -148.46 153.18 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.36 143.72 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mtm -117.61 153.22 33.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -124.74 -75.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.815 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.0 36.79 26.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -65.15 -20.78 66.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.204 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -95.63 -29.96 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 t -94.12 -17.09 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.496 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 3.5 ptm85 -51.49 -29.02 15.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.712 0.291 . . . . 0.0 111.35 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -59.48 -31.05 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -140.22 29.67 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.36 137.87 19.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -89.11 -20.48 1.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.873 2.382 . . . . 0.0 112.886 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 43.1 91.15 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.368 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 m -118.95 121.02 38.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' CG1' ' H ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -85.29 -158.67 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.134 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' H ' ' CG1' ' A' ' 46' ' ' ILE . 62.3 m-85 -78.09 149.4 33.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 110.779 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mp -85.19 128.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.23 115.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.47 110.21 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.99 125.93 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.79 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 32.7 m-85 -98.54 158.63 15.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -79.53 120.36 23.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -100.46 153.56 19.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.5 m -87.34 -46.27 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.5 146.44 33.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.58 67.55 7.19 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.635 2.223 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.9 85.6 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.99 156.33 31.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.661 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 114.19 28.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.761 0.315 . . . . 0.0 111.032 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.71 17.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.7 m -132.79 170.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.573 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.5 p -142.05 118.09 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.1 125.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 133.76 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 14.5 p -93.47 144.27 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -136.46 136.79 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.402 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.9 t 176.76 -79.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.21 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -94.2 -28.3 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.118 0.485 . . . . 0.0 110.008 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 123.08 2.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.8 mt -63.34 121.69 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.379 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.33 133.1 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.6 m -114.96 139.24 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 83' ' ' PHE . 7.0 tp -71.2 105.39 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.777 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -111.34 132.44 54.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.9 p -100.67 101.56 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.817 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -43.7 -30.37 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.817 0.342 . . . . 0.0 111.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 -32.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mt -78.53 147.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG13 ' HA ' ' A' ' 137' ' ' ILE . 31.6 mm -99.51 138.71 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -159.14 140.01 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.43 ' CE1' HD11 ' A' ' 74' ' ' LEU . 12.0 m-85 -78.28 101.3 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -81.27 123.46 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.73 97.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -177.21 132.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -75.53 146.39 80.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.85 132.76 48.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.495 2.13 . . . . 0.0 112.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 159.48 44.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.401 2.067 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.33 -42.19 26.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.55 120.12 9.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.725 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.9 mt -93.22 147.07 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -81.86 -34.11 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -92.58 151.47 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -79.98 -17.58 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 101.73 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.86 170.94 9.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.758 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -74.53 -23.32 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -92.89 -28.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.246 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.3 mm -59.68 138.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -131.77 147.12 52.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.719 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.427 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 3.0 m-85 -105.25 94.57 5.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.434 ' HB2' ' CE1' ' A' ' 115' ' ' PHE . 5.9 tt0 -94.32 112.72 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.74 151.71 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.5 p -70.39 134.52 47.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.92 136.83 28.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.138 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.84 173.9 7.87 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.788 2.325 . . . . 0.0 112.371 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 59.02 36.0 86.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -159.93 -176.8 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -72.92 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -160.03 70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -99.66 174.43 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 137.36 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.26 140.25 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.805 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.446 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 10.4 m-85 -103.16 113.68 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 12.5 tt0 -110.45 158.93 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.68 139.14 51.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 1.4 t -57.31 -26.59 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.128 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.39 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -160.76 84.63 0.69 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.582 0.23 . . . . 0.0 111.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.98 -171.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.242 0.544 . . . . 0.0 111.642 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.96 -27.24 21.08 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.416 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.402 ' HB3' ' CG ' ' A' ' 138' ' ' LEU . 17.6 m-85 -149.47 124.83 10.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 43.2 m-85 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 8.3 mt -73.31 117.95 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.31 -179.79 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.88 143.47 45.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.39 124.88 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.425 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.3 95.55 7.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.83 105.17 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.683 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 61.82 -113.44 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -109.69 17.55 21.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.583 0.23 . . . . 0.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.43 140.5 44.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.989 0.423 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.425 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -98.47 100.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.87 130.54 34.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 111.351 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.32 127.96 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.42 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -136.8 176.75 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.406 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 12.5 tp -108.45 109.55 20.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.912 0.386 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.27 -176.71 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -124.04 100.14 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.32 169.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.92 -30.45 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.2 123.36 40.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.31 -22.64 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.25 23.88 31.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.141 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.25 122.55 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -56.14 -25.43 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.284 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -54.39 -28.85 46.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 20.9 pt -105.86 15.37 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -113.1 145.47 40.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -134.43 170.5 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 133.85 54.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.4 t -119.33 125.71 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.76 162.11 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.51 131.69 34.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.64 113.73 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 1.7 t80 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.534 0.207 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.98 155.2 26.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.8 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -84.57 134.79 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.1 tt -93.7 -55.05 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.8 pt-20 -175.18 136.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -103.25 129.52 50.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -155.02 160.84 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.19 135.68 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 47.0 m -138.99 134.45 33.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.646 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.54 125.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.99 105.38 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.25 155.51 17.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -99.3 -168.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.9 mm? -72.15 -30.75 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.11 11.58 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 t70 74.87 38.03 0.48 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.922 0.391 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.19 135.44 47.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.68 135.43 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.7 tp -60.94 136.43 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.65 162.26 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.626 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.5 mm -113.54 154.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.0 m-20 -122.18 -177.11 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -57.08 -22.06 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.15 24.54 31.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.434 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER 45.26 32.86 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.466 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -94.64 134.22 25.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 94.87 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 133' ' ' LEU . 3.7 mt -102.16 -178.97 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 10.0 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.39 174.71 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.6 0.238 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 3.6 m-85 -77.95 164.54 25.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 111.278 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.523 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.4 mp -88.39 145.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 48' ' ' ILE . 26.3 mm -121.5 117.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -101.38 117.63 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.476 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -88.88 131.56 35.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 71.1 m-85 -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.8 tptp -81.86 116.91 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.56 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.19 112.63 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.6 m -132.43 170.14 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.485 ' CG2' HD13 ' A' ' 100' ' ' ILE . 16.9 p -151.92 121.4 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.91 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.7 p -143.83 123.2 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' HD1' ' A' ' 47' ' ' PHE . 12.1 p -89.56 129.32 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 126.71 49.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.2 t 179.31 -82.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.341 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.83 -30.2 21.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.32 122.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.981 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.52 119.98 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.464 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -136.35 128.71 30.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 m -102.13 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 81' ' ' ILE . 15.3 tp -72.85 121.16 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.464 ' HB3' HG22 ' A' ' 99' ' ' ILE . 8.6 p -132.81 128.13 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.13 103.2 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.78 -97.73 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.919 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -70.23 0.73 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -7.62 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.257 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.92 167.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.581 HG21 HD11 ' A' ' 74' ' ' LEU . 43.2 mm -103.47 137.58 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 p -140.88 140.18 34.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.626 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 10.0 m-85 -93.53 114.24 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -96.79 119.37 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.34 97.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -179.9 137.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.13 150.32 97.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.98 125.1 17.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.498 2.132 . . . . 0.0 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.06 159.7 17.7 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.417 2.078 . . . . 0.0 112.311 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.7 -27.15 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.656 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -156.68 115.97 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.56 144.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -47.45 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.23 150.7 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.749 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.3 p -79.86 -16.35 55.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.4 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 100.2 4.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.73 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -72.17 -20.41 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.464 HG22 ' HB3' ' A' ' 75' ' ' SER . 3.2 pt -96.34 -28.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 63' ' ' THR . 48.0 mm -58.61 143.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.235 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -130.17 145.05 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.718 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 2.8 m-85 -104.59 99.24 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 5.4 tt0 -87.63 132.73 33.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -139.3 117.58 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -54.02 148.27 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 ' SD ' ' A' ' 150' ' ' MET . 45.4 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 15' ' ' LEU . 23.5 mmmt -72.78 160.65 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.5 mmt -138.56 159.44 42.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 106' ' ' VAL . 5.7 mt-30 -123.08 128.17 49.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.4 m-85 -91.43 117.58 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 14.6 tt0 -119.14 158.73 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.2 t -63.55 144.97 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 29.3 p -59.22 -40.72 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t -60.1 -74.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.95 -169.45 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.72 -173.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 113.79 -37.33 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -139.21 127.5 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.41 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 27.8 m-85 -121.43 145.45 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 137' ' ' ILE . 7.4 mt -70.27 139.13 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -143.42 175.33 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 p -115.41 120.68 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 131.93 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -84.27 98.38 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.98 113.19 25.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 60.59 -115.59 0.68 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.64 17.42 21.33 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 122.384 -0.197 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 29' ' ' LEU . 11.4 mt -135.11 142.86 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.423 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -98.92 100.28 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.042 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.6 169.62 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.404 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.44 ' HG ' HD22 ' A' ' 125' ' ' LEU . 3.9 tp -120.38 130.4 54.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.658 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -141.19 -179.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.7 tp -111.31 110.23 20.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 178.22 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.7 ' HZ2' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -124.01 94.91 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.87 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 149' ' ' ILE . 5.7 mm-40 -65.27 170.56 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -30.78 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.33 126.29 50.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.7 HD21 ' HZ2' ' A' ' 140' ' ' LYS . 12.4 mt -76.54 -20.42 56.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.045 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.2 19.29 53.23 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.092 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -86.37 122.95 31.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.826 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' A' ' 15' ' ' LEU . 1.2 ptt180 -54.53 -27.02 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.7 m -54.38 -29.55 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.572 HG22 ' HB2' ' A' ' 126' ' ' ALA . 19.2 pt -108.26 17.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.784 ' SD ' HG21 ' A' ' 106' ' ' VAL . 9.0 mtt -111.48 143.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.78 165.75 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.32 135.41 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -122.77 127.61 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 161.68 23.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.46 132.59 34.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.24 147.2 9.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tpmt? -84.97 112.91 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.588 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -71.93 -59.39 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.588 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.0 pt-20 -177.3 139.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -111.64 135.38 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 -175.79 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.15 134.87 45.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.0 t -88.42 103.83 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.091 0.472 . . . . 0.0 110.984 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' H ' HD13 ' A' ' 46' ' ' ILE . 50.1 mt -84.53 108.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -108.0 148.34 29.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 5.4 t30 -91.8 -171.1 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -72.54 -23.27 60.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.76 11.55 19.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.354 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.81 31.65 4.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -95.0 -168.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.35 131.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.25 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 30' ' ' PHE . 11.8 tp -72.28 141.05 48.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.42 158.77 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.663 HG23 ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm -90.29 145.24 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.35 -175.03 2.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.28 -19.86 56.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.8 19.56 35.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.799 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.663 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER 55.26 47.58 21.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -113.47 140.95 25.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.997 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.66 95.07 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.527 2.151 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.8 mt -111.03 144.9 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.735 ' CE2' HD13 ' A' ' 20' ' ' LEU . 10.6 m-85 -100.75 123.51 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -143.48 159.84 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.729 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.6 tt . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.411 0.148 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.729 ' N ' HG23 ' A' ' 46' ' ' ILE . 77.5 m-85 -77.94 137.96 38.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.662 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.0 mp -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.63 121.98 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.61 109.34 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.513 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.4 mtm -81.66 125.49 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -97.66 143.05 28.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.0 tptt -71.37 119.79 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.421 -0.271 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG2' HG13 ' A' ' 62' ' ' VAL . 22.9 ttp -94.01 111.09 22.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.96 104.32 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 51' ' ' MET . 28.4 m -130.58 169.72 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.32 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.598 ' CG2' HD13 ' A' ' 100' ' ' ILE . 29.1 p -136.21 122.56 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mt -86.68 130.48 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 p -150.02 135.3 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.57 151.56 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.645 ' HE2' HD13 ' A' ' 71' ' ' ILE . 77.6 mttt -135.13 141.04 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.12 0.486 . . . . 0.0 111.429 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.5 t 177.44 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.169 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.29 -27.15 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.093 0.473 . . . . 0.0 109.918 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.57 122.81 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.989 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.665 HD12 ' ND2' ' A' ' 87' ' ' ASN . 61.7 mt -62.94 120.62 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.14 0.495 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 t -128.49 145.77 51.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.3 m -118.97 149.5 41.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 81' ' ' ILE . 15.6 tp -75.21 104.55 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 115.04 29.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.0 p -92.1 101.55 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.62 -98.85 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -97.97 -73.82 0.6 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -6.71 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.05 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.7 mt -106.91 165.91 4.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 74' ' ' LEU . 44.7 mm -104.63 133.1 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -139.14 136.67 35.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 8.0 m-85 -87.12 122.61 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.13 119.76 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 97.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.34 134.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.665 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.3 m-20 -68.37 145.92 97.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.62 125.57 19.46 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.434 2.089 . . . . 0.0 112.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.01 168.28 6.15 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.395 2.064 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -108.12 -26.49 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.778 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -157.96 104.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.57 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.3 mt -93.72 147.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.39 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.57 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -97.61 158.05 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -88.98 -7.64 55.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.399 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 100.04 3.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 167.57 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -69.05 -17.37 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.212 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.413 HD12 HG21 ' A' ' 63' ' ' THR . 3.5 pt -99.65 -28.46 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.296 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.598 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.0 mm -57.23 145.29 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 125' ' ' LEU . 39.4 m-85 -137.46 147.32 45.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.32 89.95 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.601 ' CD ' HG21 ' A' ' 153' ' ' VAL . 5.4 tt0 -93.7 111.57 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -123.4 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.44 150.16 40.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.806 HG21 ' SD ' ' A' ' 150' ' ' MET . 33.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 106' ' ' VAL . 0.7 OUTLIER -83.94 163.46 19.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.6 134.61 20.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.393 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.688 ' HG3' HG22 ' A' ' 106' ' ' VAL . 13.2 mt-30 -105.81 141.22 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.654 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.437 ' HB3' HD12 ' A' ' 125' ' ' LEU . 22.5 m-85 -105.14 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -112.51 158.71 19.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -63.87 156.77 26.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -70.83 -43.16 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.8 t -60.58 -75.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.18 -169.73 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.36 -173.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.11 -28.28 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.375 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.437 ' HB3' HD21 ' A' ' 138' ' ' LEU . 24.7 m-85 -136.25 126.55 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 22.0 m-85 -126.15 137.73 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 136' ' ' LEU . 7.9 mt -69.68 115.45 8.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -121.06 170.69 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.5 p -104.3 123.32 47.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 126.03 48.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.45 132.93 35.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.686 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 12.6 mt-10 -145.04 96.21 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 0.0 111.602 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 61.37 -105.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.374 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -110.17 17.46 20.95 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 122.266 -0.271 . . . . 0.0 111.662 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -139.63 151.85 46.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.836 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 129' ' ' LYS . 4.5 m-85 -110.85 100.27 9.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.865 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.607 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -89.87 127.33 35.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 111.426 -179.121 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 125' ' ' LEU . 2.5 tp -76.19 139.65 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.21 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.678 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -105.13 111.0 23.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 18.6 ptmt -142.76 170.52 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.432 ' NZ ' HD21 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -111.67 94.77 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.589 179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.861 ' CD ' HD13 ' A' ' 149' ' ' ILE . 11.0 pm0 -60.49 172.32 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.84 -41.68 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.89 121.88 43.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.38 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.627 ' O ' HD11 ' A' ' 149' ' ' ILE . 5.7 mt -68.03 -21.61 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.77 25.38 25.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.057 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.01 128.12 37.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.27 -30.79 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.424 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 m -52.98 -28.12 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.257 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.861 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.5 pt -105.31 22.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.417 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.806 ' SD ' HG21 ' A' ' 106' ' ' VAL . 26.9 mtt -117.26 163.88 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -148.71 168.02 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.04 127.54 54.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.601 HG21 ' CD ' ' A' ' 103' ' ' GLN . 3.0 t -112.52 114.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.77 162.07 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -89.91 122.71 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.371 . . . . 0.0 110.812 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 8.5 t80 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.541 0.21 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.99 162.11 32.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.776 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -83.4 135.32 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.429 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.46 -57.55 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -165.66 125.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -100.26 126.27 46.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 47' ' ' PHE . 6.4 mt -99.5 124.46 44.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.58 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.3 132.19 51.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.498 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 t -80.99 124.3 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.09 112.05 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.127 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -111.65 168.3 9.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 -165.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -66.01 -32.68 74.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -90.37 11.61 20.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.321 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 66.67 30.66 8.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -94.91 130.31 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.97 134.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.587 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.5 tp -58.17 128.17 35.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.21 165.44 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.86 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.8 mm -106.93 153.96 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.766 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.53 -179.12 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.27 -21.06 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 21.56 38.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.689 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 88.6 m-20 58.03 30.18 18.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.731 0.3 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.528 ' HB3' HD21 ' A' ' 29' ' ' LEU . 21.0 mtt85 -93.82 143.85 27.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.562 ' C ' HD23 ' A' ' 29' ' ' LEU . 91.4 Cg_endo -79.75 94.96 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.609 2.206 . . . . 0.0 112.351 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 133' ' ' LEU . 2.1 mt -113.65 135.73 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 45.1 m-85 -89.28 127.33 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.77 174.67 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.608 HG23 ' N ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.624 0.249 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.608 ' N ' HG23 ' A' ' 46' ' ' ILE . 8.8 m-85 -78.02 163.39 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.983 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.5 mp -83.19 136.33 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -112.5 113.96 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.97 114.41 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.872 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.9 mtm -89.87 127.23 35.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 56.3 m-85 -106.8 156.66 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -95.99 125.77 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.071 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.849 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.74 125.54 45.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.04 119.75 32.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.872 HG12 ' HG3' ' A' ' 51' ' ' MET . 35.7 m -138.21 170.7 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 111.589 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -150.42 107.83 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.02 140.53 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.62 128.87 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' CD1' ' A' ' 47' ' ' PHE . 10.7 p -89.35 137.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.867 ' HE2' HD13 ' A' ' 71' ' ' ILE . 31.9 mttt -131.27 138.21 49.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.496 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.96 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.842 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -101.18 -27.33 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.012 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 122.5 1.24 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.306 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.867 HD13 ' HE2' ' A' ' 67' ' ' LYS . 16.7 mt -60.72 110.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.186 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -123.88 138.06 54.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.782 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 m -110.36 146.22 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.4 tp -75.1 114.33 13.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.777 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 p -119.93 137.42 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.43 102.69 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -54.19 -100.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -98.05 -72.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.967 0.413 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.68 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.012 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.8 mt -106.17 164.89 4.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.986 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.4 mm -113.96 146.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.06 141.04 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.86 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.8 m-85 -84.45 111.58 19.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.46 123.47 34.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.08 97.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.42 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -176.66 126.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.763 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.534 ' ND2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -62.89 144.2 96.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -51.52 134.08 45.17 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.532 2.154 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.42 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 65.1 Cg_endo -73.75 168.9 23.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.454 2.103 . . . . 0.0 112.235 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.19 -31.92 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -143.11 94.06 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 17.8 mt -79.53 138.74 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -32.52 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.618 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.529 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -90.3 158.08 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.818 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -20.47 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 100.23 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.423 ' OG ' HG12 ' A' ' 100' ' ' ILE . 4.3 p -92.91 173.79 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 99' ' ' ILE . 17.7 p30 -71.52 -18.71 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 98' ' ' ASP . 17.9 pt -92.4 -30.72 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.618 0.246 . . . . 0.0 111.402 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.423 HG12 ' OG ' ' A' ' 97' ' ' SER . 29.3 mm -59.69 130.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 125' ' ' LEU . 49.3 m-85 -122.74 140.4 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 118' ' ' SER . 2.5 m-85 -100.98 99.56 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.73 ' OE1' HG21 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -85.06 123.72 30.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.658 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 120.72 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -64.41 145.4 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.642 HG11 ' SD ' ' A' ' 150' ' ' MET . 41.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.058 0.456 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -93.33 174.51 7.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.971 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.32 145.54 30.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -116.42 139.06 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.718 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 3.3 m-85 -101.77 118.97 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -117.55 154.58 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 t -66.05 140.66 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 1.5 t -59.56 -30.69 68.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.9 m -64.0 -73.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 -170.36 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.22 -174.36 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.81 -19.75 52.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.579 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.13 123.29 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 17.1 m-85 -129.83 137.31 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 101' ' ' PHE . 7.1 mt -66.34 108.45 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.762 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.561 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -111.8 179.74 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 22.1 p -119.35 119.9 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.8 129.33 45.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -91.13 113.04 25.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 119.98 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 59.0 -118.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.509 0.195 . . . . 0.0 111.457 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 29' ' ' LEU . 11.2 mt -129.52 157.53 41.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.947 0.403 . . . . 0.0 111.584 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -113.87 99.9 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.82 122.56 30.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.713 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.4 tp -82.35 126.01 31.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.78 -179.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.25 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 81' ' ' ILE . 24.3 tp -106.44 109.67 21.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.561 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 20.2 ptmt -142.82 171.58 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.41 101.01 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.791 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.57 167.26 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -79.96 -30.14 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -125.25 128.45 48.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.642 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.47 -23.27 65.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.58 25.98 20.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.164 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -88.97 120.06 30.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.655 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.2 -24.87 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.454 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.426 ' N ' ' HD2' ' A' ' 147' ' ' ARG . 2.5 m -58.22 -24.09 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 126' ' ' ALA . 24.5 pt -114.64 15.94 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.469 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.642 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.2 mtt -108.97 128.23 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -118.15 177.84 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.77 129.52 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.73 HG21 ' OE1' ' A' ' 103' ' ' GLN . 17.7 t -116.29 132.97 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.08 161.78 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.75 132.08 34.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.534 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 2.5 t80 . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.629 0.252 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.86 153.65 24.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.712 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -86.01 133.57 33.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -93.44 -56.96 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.3 pt-20 -171.13 142.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 128.49 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -150.63 164.25 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.06 122.09 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -128.23 129.71 46.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 46' ' ' ILE . 21.4 t -81.52 128.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.17 103.18 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.843 ' HG2' HG22 ' A' ' 19' ' ' VAL . 36.4 mtt85 -98.85 157.18 16.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 7.5 t30 -95.29 -165.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? -73.21 -29.37 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.75 11.54 22.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.373 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 73.19 32.59 1.26 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -102.31 127.58 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 13' ' ' ARG . 34.3 t -87.2 137.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 30' ' ' PHE . 6.9 tp -62.34 136.99 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -145.8 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.6 mm -96.02 149.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.81 -176.83 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.4 -20.0 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.3 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.59 19.44 39.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.662 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.581 ' HA ' HG23 ' A' ' 22' ' ' ILE . 6.8 t-20 56.37 40.7 29.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -107.22 140.47 21.49 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.1 103.2 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.51 2.14 . . . . 0.0 112.266 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 135' ' ' LYS . 6.8 mt -121.88 138.78 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.643 ' CE2' HD13 ' A' ' 20' ' ' LEU . 77.1 m-85 -83.86 126.46 32.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -133.1 146.84 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.675 0.274 . . . . 0.0 111.121 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.564 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.2 m-85 -77.99 156.67 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.053 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.74 138.14 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.44 HD12 HG13 ' A' ' 64' ' ' ILE . 23.7 mm -110.59 135.06 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -115.27 120.87 41.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.791 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -95.48 129.41 42.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 87.7 m-85 -99.73 158.32 15.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 5' ' ' LEU . 26.3 tptt -88.69 111.77 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 ttp -108.42 111.19 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 109.35 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.791 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.2 m -130.8 167.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.461 ' HG1' ' HE2' ' A' ' 52' ' ' TYR . 1.1 p -142.68 126.02 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.44 HG13 HD12 ' A' ' 49' ' ' ILE . 3.8 mp -91.01 136.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 134.12 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.27 142.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -115.35 132.76 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 t -179.38 -141.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.576 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -46.23 -30.09 1.86 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.163 0.506 . . . . 0.0 110.325 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 124.97 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.054 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -68.64 133.92 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.309 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -137.11 137.69 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.6 m -112.07 134.0 53.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 81' ' ' ILE . 21.7 tp -60.49 110.02 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.425 ' HB3' HG22 ' A' ' 99' ' ' ILE . 10.9 p -122.07 129.6 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.5 p -100.19 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -101.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -98.04 -67.96 0.82 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.454 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -6.75 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.209 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -107.67 165.63 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 138' ' ' LEU . 34.4 mm -111.95 142.04 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -154.21 147.0 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 16.4 m-85 -90.02 109.73 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -90.61 123.83 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.09 98.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 2.3 ptm -176.93 133.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.432 ' O ' ' HE3' ' A' ' 86' ' ' MET . 8.1 p30 -71.05 147.91 94.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 46.9 Cg_exo -55.67 124.96 17.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 38.3 Cg_exo -59.68 172.09 2.33 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.413 2.075 . . . . 0.0 112.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.27 -28.05 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -154.06 82.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 2' ' ' PHE . 48.7 mt -65.25 148.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 37.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.67 153.64 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m -83.97 -12.59 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.382 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 103.03 3.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.86 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.03 -8.82 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.497 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 75' ' ' SER . 21.8 pt -108.44 -27.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.709 0.29 . . . . 0.0 111.441 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' A' ' 97' ' ' SER . 47.8 mm -57.5 140.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.313 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -132.39 116.37 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -79.93 97.21 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.26 132.36 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 117.35 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -64.66 142.66 58.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.814 HG21 ' SD ' ' A' ' 150' ' ' MET . 36.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.913 0.387 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -91.26 173.97 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.19 143.58 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.041 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.539 ' OE1' HG22 ' A' ' 106' ' ' VAL . 33.4 mt-30 -114.07 128.16 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -85.99 109.64 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 2.6 tt0 -104.47 158.74 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -74.73 149.95 39.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.4 p -63.5 -43.0 98.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.4 t -56.2 -75.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.07 -171.36 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 36.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.448 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.77 -4.3 65.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.584 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.424 ' HB3' HD21 ' A' ' 138' ' ' LEU . 5.4 m-85 -150.13 140.6 22.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.757 0.313 . . . . 0.0 110.726 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 16.0 m-85 -134.63 130.84 37.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.055 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.4 mt -61.11 145.74 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 136' ' ' LEU . . . -151.71 174.84 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 132.06 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.39 119.75 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -76.96 103.25 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.0 107.01 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.638 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 60.87 -115.08 0.63 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.579 0.228 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 29' ' ' LEU . 11.5 mt -135.77 142.57 44.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 111.469 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.437 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -99.42 100.29 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.046 179.262 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -83.87 123.31 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.482 -179.395 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.643 ' HG ' HD22 ' A' ' 125' ' ' LEU . 4.7 tp -82.11 126.52 32.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.685 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -138.44 173.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.5 tp -103.22 122.54 44.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -153.81 -177.61 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.433 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -120.91 95.55 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.529 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.868 ' CD ' HD13 ' A' ' 149' ' ' ILE . 14.0 pm0 -60.06 173.16 0.66 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.87 -34.98 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -125.7 123.84 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.545 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.8 mt -66.31 -23.1 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.04 19.14 54.84 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.351 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -84.45 124.38 31.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.431 ' O ' HD21 ' A' ' 15' ' ' LEU . 16.2 ptt85 -55.83 -26.47 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.301 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.3 m -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.868 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.3 pt -100.44 19.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.816 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.814 ' SD ' HG21 ' A' ' 106' ' ' VAL . 22.0 mtt -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.8 177.54 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.55 130.47 49.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.68 130.85 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -129.46 161.86 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.43 132.14 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.47 159.96 27.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 116.23 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -83.84 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.621 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -177.06 138.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 p -112.22 115.91 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.597 ' HE3' ' HE1' ' A' ' 51' ' ' MET . 0.6 OUTLIER -135.2 -175.83 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 48' ' ' ILE . 18.5 mt -103.48 122.76 45.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.678 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.98 135.32 50.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 t -81.0 143.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.62 110.44 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -118.49 134.25 55.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.356 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -99.47 -165.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 147' ' ' ARG . 1.2 mm? -57.94 -26.62 62.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.15 11.6 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.475 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.26 25.73 2.63 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 111.507 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -99.2 134.11 42.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -83.67 129.8 36.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 13.2 tp -60.44 143.2 53.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -156.68 165.09 37.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HA ' ' A' ' 26' ' ' ASN . 14.9 mm -93.27 151.35 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -176.82 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -19.02 63.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -100.73 5.17 56.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' ILE . 7.3 m-80 67.6 46.68 1.31 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.222 0.535 . . . . 0.0 110.184 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.86 147.83 40.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.089 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.35 95.89 1.01 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 27' ' ' ARG . 10.7 mt -121.15 140.84 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 32.7 m-85 -83.81 141.63 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -137.92 148.61 45.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 53.8 m-85 -78.28 163.06 26.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.399 . . . . 0.0 111.065 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 65' ' ' SER . 4.4 mp -96.4 114.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.57 131.05 35.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.99 104.33 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.66 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.0 mtm -81.03 128.21 33.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -102.66 134.28 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -73.32 105.88 4.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.3 ttp -97.97 109.9 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.95 117.64 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.0 m -139.85 169.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.254 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 HD12 ' A' ' 99' ' ' ILE . 2.3 p -147.73 113.41 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.775 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 mt -84.31 127.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.1 p -143.39 139.1 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 HG13 ' A' ' 22' ' ' ILE . 11.8 p -97.28 144.44 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -135.35 137.98 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.178 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -27.5 14.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.964 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.36 123.14 2.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.295 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.49 119.87 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.334 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -133.38 146.35 51.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 m -123.76 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' A' ' 81' ' ' ILE . 7.6 tp -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 p -130.42 143.48 50.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.01 105.4 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.06 -100.0 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.98 -73.85 0.6 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.959 0.409 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.71 -6.72 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.0 mt -105.91 165.48 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.913 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.3 mm -111.39 143.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 p -154.16 151.82 29.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 22' ' ' ILE . 6.6 m-85 -95.33 120.25 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 115.5 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 98.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ptm -176.53 133.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.38 146.13 96.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.5 138.1 48.93 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.422 2.081 . . . . 0.0 112.274 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.74 170.63 19.58 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.25 -41.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -136.44 103.64 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.657 HG22 ' H ' ' A' ' 94' ' ' ASP . 40.3 mt -86.17 143.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -26.63 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.657 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.1 p30 -84.89 150.95 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -85.97 3.59 41.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.297 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.74 102.08 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.71 171.45 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -74.01 -21.33 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.805 HD12 HG21 ' A' ' 63' ' ' THR . 2.6 pt -94.88 -28.41 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 92' ' ' ILE . 38.4 mm -60.91 133.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CE2' HD23 ' A' ' 74' ' ' LEU . 63.8 m-85 -129.52 143.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 18.0 m-85 -108.73 103.07 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -85.83 137.81 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -142.11 120.85 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.38 159.66 6.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 150' ' ' MET . 38.4 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -103.89 165.52 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.2 154.45 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.025 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -123.89 132.17 53.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.496 ' HB3' HD12 ' A' ' 125' ' ' LEU . 11.7 m-85 -90.74 115.62 27.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -108.19 158.28 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 153.51 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 83.0 p -65.18 -40.86 94.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.008 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -56.44 -67.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.68 -171.57 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.49 37.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.347 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.67 66.63 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -150.18 138.54 20.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.45 138.06 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.6 mt -69.3 114.99 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.45 -178.41 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.9 p -122.22 124.25 43.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.52 ' HG3' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -98.97 127.43 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.91 101.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.83 110.29 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 60.71 -115.81 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -109.65 17.51 21.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.556 0.217 . . . . 0.0 111.28 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 29' ' ' LEU . 11.6 mt -132.05 141.48 49.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.082 0.468 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.44 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 m-85 -99.19 100.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.819 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.466 ' HG3' HD22 ' A' ' 29' ' ' LEU . 2.3 mttt -81.82 156.38 24.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.35 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HG ' HD22 ' A' ' 125' ' ' LEU . 13.1 tp -99.47 124.82 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.801 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.6 pt -129.38 -179.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.37 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.913 ' HB2' HD11 ' A' ' 81' ' ' ILE . 6.4 tp -129.81 112.55 13.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -154.73 176.15 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.68 99.57 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.854 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.5 pm0 -60.28 175.22 0.45 Allowed 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.91 -38.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.81 126.1 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.7 mt -65.51 -24.76 67.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.94 26.45 22.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.4 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.66 129.35 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.821 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.72 -29.7 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 p -53.91 -32.03 52.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.854 HD13 ' CD ' ' A' ' 141' ' ' GLU . 6.3 pt -106.81 24.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.439 ' SD ' HG11 ' A' ' 106' ' ' VAL . 17.5 mtt -117.61 137.44 52.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -131.6 164.65 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 138.81 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.774 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.93 140.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 161.73 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -90.42 132.78 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.468 0.175 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.82 174.42 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.935 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -94.68 132.67 39.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -92.57 -56.52 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.1 pt-20 -172.12 136.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.65 120.63 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -147.59 169.62 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 47' ' ' PHE . 10.1 mt -89.98 138.86 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.711 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -141.67 141.03 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.32 123.23 39.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 19' ' ' VAL . 40.6 mt -110.39 114.26 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 3.3 mtt180 -113.01 159.04 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' CZ ' ' A' ' 30' ' ' PHE . 2.5 t30 -99.16 -163.94 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.0 mm? -75.45 -29.02 59.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -89.96 11.62 19.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.36 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 72.37 25.45 2.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -101.63 123.8 46.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.8 p -80.08 150.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.301 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 15.1 tp -74.13 138.0 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.21 155.62 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.658 HG23 ' HA ' ' A' ' 26' ' ' ASN . 10.3 mm -92.33 144.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -107.13 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.25 -24.16 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.72 33.42 6.07 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.401 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.658 ' HA ' HG23 ' A' ' 22' ' ' ILE . 5.3 p-10 45.48 44.33 9.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 111.364 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -103.51 134.21 19.88 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.29 95.02 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.421 2.081 . . . . 0.0 112.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 135' ' ' LYS . 5.3 mt -111.44 152.87 26.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 52.0 m-85 -103.66 133.18 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.38 172.91 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.65 0.262 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.855 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.6 166.23 23.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.047 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.3 mp -84.05 148.22 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.377 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 48' ' ' ILE . 12.7 mm -121.14 112.82 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.68 107.11 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.819 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.2 mtm -82.62 127.64 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 11.1 m-85 -101.91 157.78 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -84.03 115.37 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 5.1 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.534 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.75 0.084 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm -111.39 118.32 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.667 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -80.83 125.7 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.267 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.819 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.0 m -144.26 169.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 100' ' ' ILE . 81.9 p -144.63 115.47 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.19 135.13 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 139.26 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.183 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.4 136.0 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 0.0 111.443 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -179.51 -85.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.891 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -93.5 -24.07 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.188 0.518 . . . . 0.0 109.667 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -157.93 127.72 6.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.848 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.37 117.81 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 111.312 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -128.57 143.76 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -126.5 135.81 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 81' ' ' ILE . 41.0 tp -65.02 124.49 22.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -134.06 139.86 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -114.39 102.54 10.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.81 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -98.07 -72.74 0.64 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.895 0.379 . . . . 0.0 110.478 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -122.48 -6.69 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.999 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -106.89 165.65 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.066 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 138' ' ' LEU . 40.7 mm -111.92 145.36 18.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -158.0 141.13 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -87.93 113.77 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.96 123.74 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.17 97.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE2' HD13 ' A' ' 99' ' ' ILE . 1.6 ptm 179.93 138.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -71.79 149.19 92.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.83 135.47 41.48 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.67 161.56 30.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.415 2.077 . . . . 0.0 112.408 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.17 -31.18 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -146.15 125.82 13.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mt -106.22 147.26 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 29.64 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -140.74 156.28 46.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -7.35 56.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.35 104.22 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.413 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 169.61 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -76.9 -24.37 52.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.7 pt -92.65 -30.8 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.275 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.539 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.5 mm -59.38 134.1 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.276 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 125' ' ' LEU . 30.4 m-85 -122.52 151.91 40.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.8 m-85 -111.02 92.08 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.39 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.736 ' OE1' HG21 ' A' ' 153' ' ' VAL . 8.1 tt0 -93.33 115.99 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.331 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.534 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpt180 -126.22 146.6 49.92 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.17 155.92 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.801 HG21 ' SD ' ' A' ' 150' ' ' MET . 47.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -78.47 162.56 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.438 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 8.2 mmt -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.92 129.04 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 125' ' ' LEU . 7.4 m-85 -90.06 118.89 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 9.4 tt0 -119.44 158.78 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -62.72 147.56 49.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 86.4 p -58.35 -43.78 88.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 t -58.58 -76.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.02 -167.42 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.5 -174.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.15 -33.76 5.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -135.09 121.12 19.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 10.9 m-85 -119.69 137.33 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.9 mt -68.87 119.66 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -124.56 172.7 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 19.4 p -105.82 126.42 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.401 ' HB2' HG12 ' A' ' 137' ' ' ILE . 2.7 tt0 -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.01 96.33 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.823 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -105.62 99.18 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 61.78 -110.64 0.4 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.68 17.4 21.33 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.504 0.193 . . . . 0.0 111.378 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.13 142.53 44.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.002 0.429 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.465 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 36.3 m-85 -96.88 101.57 13.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.096 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.401 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -90.94 128.83 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.89 146.79 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.842 ' O ' HD23 ' A' ' 125' ' ' LEU . 2.0 pt -155.43 -179.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.773 ' HB2' HD11 ' A' ' 81' ' ' ILE . 7.5 tp -126.34 114.98 18.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -151.97 -176.95 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.48 99.2 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.691 ' HG3' HG23 ' A' ' 149' ' ' ILE . 36.6 mm-40 -62.66 178.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.88 -28.63 39.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.48 125.27 36.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.38 -26.17 68.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.3 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.17 123.45 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -27.28 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.7 m -54.6 -30.19 53.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.817 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.743 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.6 pt -105.66 16.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.801 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtt -111.42 153.18 26.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 5.6 m-85 -138.93 177.83 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.3 140.31 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.736 HG21 ' OE1' ' A' ' 103' ' ' GLN . 10.5 t -124.32 139.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -136.44 161.81 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.748 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.29 133.04 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.551 ' HD2' HD12 ' A' ' 92' ' ' ILE . 1.5 t80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.493 0.187 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.7 -179.19 29.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.996 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 50' ' ' SER . 0.0 OUTLIER -100.12 133.07 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.036 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.38 -52.18 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 142.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 132.3 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -152.18 176.68 11.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -96.9 130.37 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -134.17 135.33 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.509 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.41 126.06 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -106.2 117.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.757 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 29.1 p-10 -91.88 -171.41 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 150' ' ' MET . 3.3 mm? -68.26 -20.31 64.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.95 11.46 18.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.497 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 63.75 28.32 14.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.379 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -109.61 144.73 37.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.28 149.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.925 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.1 tp -77.61 144.94 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 29' ' ' LEU . 6.1 p90 -156.53 152.19 27.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.91 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 11.1 mm -89.08 143.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.01 -179.28 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.69 -20.5 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.07 21.32 31.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.647 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.7 m-20 57.25 50.11 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -115.96 139.5 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' O ' HD23 ' A' ' 29' ' ' LEU . 86.9 Cg_endo -78.16 108.59 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.2 mt -123.67 155.82 37.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.925 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 57.0 m-85 -114.62 123.78 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -149.21 172.09 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.506 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.548 0.213 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.4 m-85 -78.22 165.29 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.998 0.428 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.9 mp -95.66 129.75 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.6 mm -100.72 117.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 1.3 m -103.37 121.25 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.824 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.3 mtm -96.33 133.63 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 92' ' ' ILE . 4.8 m-85 -103.88 151.78 22.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -85.42 123.16 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.963 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 ttp -85.64 109.31 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.18 99.7 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.824 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.5 m -129.15 167.45 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 100' ' ' ILE . 55.7 p -146.41 128.5 15.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.92 122.92 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.684 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 p -127.66 132.75 49.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 111.274 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 66' ' ' VAL . 12.4 p -101.62 124.14 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HG2' HG23 ' A' ' 71' ' ' ILE . 31.1 mtpt -116.49 138.53 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 111.346 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.14 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.217 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' C ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -90.82 -35.39 14.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -148.45 126.14 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.132 179.388 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.795 HG21 ' OD1' ' A' ' 87' ' ' ASN . 18.8 mt -64.08 116.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.0 t -127.74 156.88 41.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 m -130.91 143.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.75 109.33 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 135.08 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.147 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.6 p -102.67 101.7 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -157.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -41.58 -30.06 0.2 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 81' ' ' ILE . 15.1 mt -74.89 159.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.2 mm -103.41 127.49 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.0 m -145.56 149.32 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.057 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 13.7 m-85 -92.19 117.48 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.713 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.67 134.17 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.61 106.34 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.9 ptm -178.15 118.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.795 ' OD1' HG21 ' A' ' 71' ' ' ILE . 6.8 t30 -63.07 149.52 90.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.59 128.59 30.05 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.518 2.145 . . . . 0.0 112.184 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.99 158.19 53.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.394 2.063 . . . . 0.0 112.284 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -93.13 -33.39 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -143.96 93.84 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 94' ' ' ASP . 25.3 mt -75.27 123.88 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -26.98 57.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -108.59 158.08 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.1 m -82.62 -19.16 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 101.79 5.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 163.28 13.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.789 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -64.84 -21.78 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 pt -93.65 -30.09 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 92' ' ' ILE . 40.7 mm -58.69 142.3 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 125' ' ' LEU . 32.2 m-85 -131.1 148.6 52.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.2 m-85 -107.11 99.57 9.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.55 ' NE2' ' CZ ' ' A' ' 115' ' ' PHE . 14.0 tt0 -92.38 129.76 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.243 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.23 149.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.661 HG21 ' SD ' ' A' ' 150' ' ' MET . 38.7 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 152' ' ' THR . 14.4 mmmm -101.01 164.92 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.0 mmt -126.74 151.8 47.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -117.65 122.65 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CZ ' ' NE2' ' A' ' 103' ' ' GLN . 9.7 m-85 -95.48 113.48 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.2 tt0 -115.63 158.86 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.947 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 1.1 p -57.32 -28.4 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -160.63 91.08 0.89 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.516 0.198 . . . . 0.0 111.071 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 120' ' ' TYR . 8.8 pt-20 44.75 -173.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.248 0.547 . . . . 0.0 111.692 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.46 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.521 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -133.81 120.11 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 8.0 m-85 -107.5 155.89 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -79.85 110.57 15.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.15 175.1 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.78 117.72 31.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' A' ' 137' ' ' ILE . 5.6 tt0 -92.3 127.46 37.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -84.11 94.23 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.25 104.7 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.809 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 61.49 -112.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.575 0.226 . . . . 0.0 111.225 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.42 142.91 47.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 111.303 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -98.86 100.39 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.259 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.455 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.1 mttt -88.07 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.568 HD11 HD22 ' A' ' 125' ' ' LEU . 23.0 tp -68.8 145.08 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.807 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.1 pt -151.24 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.878 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.4 tp -133.57 115.44 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -156.72 173.67 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.56 95.76 8.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.85 ' CD ' HD13 ' A' ' 149' ' ' ILE . 5.2 pm0 -60.48 172.87 0.79 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.02 -37.11 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.92 124.31 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.686 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 140' ' ' LYS . 20.2 mt -68.86 -23.41 64.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.237 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.92 21.05 45.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.42 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 127.75 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.975 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -27.87 61.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -29.2 38.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.85 HD13 ' CD ' ' A' ' 141' ' ' GLU . 3.1 pt -108.04 22.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.238 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.661 ' SD ' HG21 ' A' ' 106' ' ' VAL . 25.7 mtt -113.38 148.22 36.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.86 161.85 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.407 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -118.64 126.18 51.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -117.63 133.6 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -123.72 161.63 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.75 131.46 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.45 145.65 13.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -77.52 125.27 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.4 tt -84.21 -55.73 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.6 pt-20 -175.96 143.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -111.01 114.5 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HZ1' ' HA ' ' A' ' 155' ' ' ASN . 1.3 pttp -134.93 -175.85 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.58 127.0 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.663 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.2 134.29 47.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.439 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.1 134.49 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.132 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -119.14 114.45 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.169 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -112.51 160.87 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 9.7 t30 -106.68 -170.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.6 mm? -66.4 -29.05 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.62 11.57 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 68.4 30.46 5.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -104.89 141.16 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.2 t -84.46 140.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 30' ' ' PHE . 15.8 tp -66.53 136.45 55.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.59 156.17 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.5 mm -100.46 153.5 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.96 -178.76 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.08 -20.37 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.37 19.95 38.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.719 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 4.0 m-80 58.56 30.78 20.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -93.38 132.35 30.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.13 94.93 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.551 2.167 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 133' ' ' LEU . 3.4 mt -113.47 136.84 52.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 20' ' ' LEU . 61.2 m-85 -83.9 145.19 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.024 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -148.62 167.24 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.663 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' HG23 ' A' ' 46' ' ' ILE . 20.1 m-85 -78.24 157.29 29.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.592 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.8 mp -86.76 137.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG13 ' A' ' 64' ' ' ILE . 23.0 mm -114.17 124.52 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.075 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.37 107.48 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.687 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.07 129.37 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -98.59 147.89 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 5' ' ' LEU . 8.8 tptt -82.78 123.29 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.367 -0.293 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -103.79 103.91 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 116.01 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.687 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.6 m -132.66 170.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.61 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.556 ' CG2' HD13 ' A' ' 100' ' ' ILE . 59.4 p -146.34 104.36 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.644 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.596 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -77.8 136.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.024 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.25 142.86 22.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.8 p -98.33 138.81 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.64 133.75 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.51 . . . . 0.0 111.31 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.65 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.11 -28.46 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.164 0.507 . . . . 0.0 109.89 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -158.68 126.22 5.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.128 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.1 118.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 0.0 111.387 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -131.82 152.25 51.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 64' ' ' ILE . 21.1 m -127.08 141.73 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.57 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.8 tp -68.06 100.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.86 127.32 43.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.481 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 p -102.81 101.35 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -44.32 -69.1 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.434 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -131.07 -6.65 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.787 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 81' ' ' ILE . 4.8 mt -102.98 163.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.973 0.416 . . . . 0.0 111.308 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.7 mm -120.62 139.71 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -159.01 144.57 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.941 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.0 m-85 -81.7 109.1 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -91.28 120.89 32.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.93 97.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE1' HD13 ' A' ' 99' ' ' ILE . 1.2 ptm -171.11 141.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.93 142.79 52.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.599 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.25 127.77 23.19 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.478 2.119 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.15 161.17 43.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.067 . . . . 0.0 112.248 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -39.86 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -140.85 111.51 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.44 HG21 ' OG ' ' A' ' 97' ' ' SER . 21.5 mt -88.68 136.3 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -41.95 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.07 155.52 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 -22.82 42.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 100.12 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.44 ' OG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -92.85 160.98 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.43 -19.88 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE1' ' A' ' 86' ' ' MET . 27.0 pt -95.58 -13.88 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.463 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' CG2' ' A' ' 63' ' ' THR . 38.6 mm -81.64 137.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -131.41 141.71 49.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -95.85 102.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' NE2' HG21 ' A' ' 153' ' ' VAL . 13.7 tt0 -87.16 131.25 34.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.94 117.23 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 p -57.5 161.63 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.714 HG21 ' SD ' ' A' ' 150' ' ' MET . 43.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.033 0.444 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -85.21 166.39 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.7 mmt -137.14 158.01 45.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.05 133.78 51.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 44.5 m-85 -102.61 110.91 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 16.3 tt0 -102.95 157.64 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.07 136.06 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.5 p -56.48 -38.63 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.24 -66.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -157.41 -168.04 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 25.47 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.45 -21.29 72.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -149.94 163.62 37.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.774 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 37.5 m-85 -141.34 143.21 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 136' ' ' LEU . 1.8 mt -67.06 123.0 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.527 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -135.0 162.83 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.43 134.23 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -113.38 129.89 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.447 ' CG ' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -78.44 116.56 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.411 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 5.0 mt-10 -117.8 87.74 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.173 0.511 . . . . 0.0 111.522 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 63.78 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.721 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.29 -9.06 14.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 29' ' ' LEU . 10.2 mt -119.57 138.81 52.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.968 0.413 . . . . 0.0 112.019 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.447 ' CE2' ' CG ' ' A' ' 129' ' ' LYS . 7.6 m-85 -98.25 100.29 11.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.652 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -83.72 170.77 13.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.969 0.414 . . . . 0.0 111.435 -178.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 125' ' ' LEU . 3.5 tp -128.72 133.75 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.838 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.422 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -144.91 178.18 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.098 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 81' ' ' ILE . 10.8 tp -107.38 112.52 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -146.36 176.76 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 111.177 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.431 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -116.34 94.79 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.655 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.862 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.6 pm0 -60.47 178.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -33.46 21.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.91 123.62 40.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.468 ' O ' HD11 ' A' ' 149' ' ' ILE . 9.0 mt -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.78 23.41 34.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.235 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.55 126.84 36.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -29.22 57.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -53.86 -27.41 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.862 HD13 ' CD ' ' A' ' 141' ' ' GLU . 8.7 pt -110.3 22.2 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.714 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtm -120.91 133.71 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.95 177.83 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 136.38 54.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.496 HG21 ' NE2' ' A' ' 103' ' ' GLN . 13.4 t -132.04 127.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.37 161.83 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.458 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.5 m-20 -84.14 130.27 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.27 159.54 22.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -85.67 108.56 18.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.611 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -68.93 -59.0 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.4 pt-20 -176.5 124.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 114.59 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HG2' ' HE3' ' A' ' 51' ' ' MET . 3.0 pttm -147.0 -175.85 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.79 131.57 49.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.568 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -132.14 136.8 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.542 179.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.26 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.118 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -107.76 116.77 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -117.16 155.1 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.98 -176.51 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.34 12.24 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.29 21.6 6.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.984 0.421 . . . . 0.0 111.536 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.89 -169.99 2.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.31 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.43 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.905 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 17.1 tp -66.52 132.66 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.88 158.79 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE1' ' A' ' 83' ' ' PHE . 8.0 mm -105.47 149.83 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.92 -179.19 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.44 -23.04 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.33 28.49 15.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.588 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.2 p-10 45.37 30.59 0.72 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 111.519 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -90.83 136.3 27.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.77 96.8 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.492 2.128 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.4 mt -114.64 148.19 38.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 24.5 m-85 -103.14 128.59 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -153.92 156.15 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.533 0.206 . . . . 0.0 110.628 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 66' ' ' VAL . 8.4 m-85 -78.05 152.75 32.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.855 HD13 ' HE2' ' A' ' 67' ' ' LYS . 4.7 mp -75.15 135.03 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 64' ' ' ILE . 26.2 mm -114.92 119.82 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -102.12 113.68 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.821 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.4 mtm -87.98 122.78 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 51.3 m-85 -98.05 136.93 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 5' ' ' LEU . 27.6 tptt -75.98 121.07 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.6 t0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.768 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.492 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.735 -0.146 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.5 ttp -93.56 120.64 34.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 119.46 22.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.821 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.7 m -139.84 170.55 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.36 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.9 p -148.98 119.21 7.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 49' ' ' ILE . 3.1 mt -87.67 129.29 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -139.58 126.79 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.06 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.558 HG23 ' CD1' ' A' ' 47' ' ' PHE . 11.2 p -89.35 140.44 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.855 ' HE2' HD13 ' A' ' 48' ' ' ILE . 11.9 mttm -134.38 138.49 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.465 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t 178.48 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.097 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -96.79 -27.81 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -163.81 126.77 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.12 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.636 HD13 ' NZ ' ' A' ' 67' ' ' LYS . 19.7 mt -61.96 125.03 17.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -137.95 127.92 25.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.781 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -105.6 140.11 39.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.678 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.1 tp -68.6 113.36 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.22 127.88 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.75 101.44 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.462 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -64.59 -155.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -42.0 -30.97 0.3 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.611 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 -32.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.462 HD12 ' OE2' ' A' ' 77' ' ' GLU . 7.8 mt -79.17 145.16 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.891 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.5 mm -95.87 138.8 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 71.1 m -156.34 139.09 15.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 22' ' ' ILE . 31.5 m-85 -81.36 105.77 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -85.56 123.01 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.29 98.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -173.84 133.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.38 132.83 94.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 135.06 59.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.395 2.063 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.07 176.61 9.91 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.96 -37.27 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -134.87 97.13 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.4 mt -81.91 122.28 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -17.86 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 92' ' ' ILE . 70.8 m-20 -99.41 158.14 15.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.781 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -3.73 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.431 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.74 99.71 1.87 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.861 0.363 . . . . 0.0 111.335 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -93.31 151.6 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.01 -25.66 58.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.943 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 pt -87.33 -30.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.7 mm -61.25 129.09 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -123.93 150.18 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.27 97.19 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.898 ' NE2' HG21 ' A' ' 153' ' ' VAL . 13.3 tt0 -96.01 112.62 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.1 tpt85 -128.09 148.12 50.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 111.146 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.409 ' CB ' ' HE1' ' A' ' 113' ' ' MET . 0.2 OUTLIER -63.28 155.89 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 179.648 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.19 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -90.0 161.67 15.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.409 ' HE1' ' CB ' ' A' ' 105' ' ' SER . 14.0 mmt -127.01 164.98 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.976 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 4.2 tt0 -136.05 128.17 29.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 9.0 m-85 -92.4 115.31 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 21.6 tt0 -112.35 157.03 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.36 145.32 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.0 p -64.43 -43.19 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -68.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -158.09 -178.01 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -175.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.4 -25.63 26.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.408 ' HB3' HD21 ' A' ' 138' ' ' LEU . 16.4 m-85 -131.33 115.32 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 114' ' ' GLN . 23.2 m-85 -118.88 142.58 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.6 mt -68.29 117.51 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.667 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -125.89 176.84 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.275 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.4 p -111.07 131.15 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.68 135.64 50.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 98.86 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.77 103.23 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 61.45 -114.01 0.54 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -109.59 17.47 21.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.651 0.262 . . . . 0.0 111.035 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -129.01 143.58 50.91 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.063 0.459 . . . . 0.0 111.56 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.97 100.26 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.847 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.569 ' HG3' HD22 ' A' ' 29' ' ' LEU . 5.6 mttt -89.08 168.89 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.354 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.472 ' CG ' HD22 ' A' ' 125' ' ' LEU . 2.1 tp -121.66 126.23 48.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.739 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.518 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.08 -179.98 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.891 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.0 tp -109.28 110.77 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 110.605 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -150.01 179.08 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 103.88 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.668 ' HG3' HG23 ' A' ' 149' ' ' ILE . 4.5 mm-40 -60.43 175.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -29.25 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -124.91 123.95 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.63 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.37 -26.23 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.46 26.78 18.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.313 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -86.63 120.64 28.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.721 0.296 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.6 -24.66 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -30.96 61.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.924 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.668 HG23 ' HG3' ' A' ' 141' ' ' GLU . 13.7 pt -101.6 13.01 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.1 mtt -106.62 141.71 37.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.48 159.54 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.79 124.83 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.64 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.898 HG21 ' NE2' ' A' ' 103' ' ' GLN . 6.9 t -118.18 129.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 161.83 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -80.53 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 2.9 t80 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.96 171.46 36.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.892 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -84.57 138.26 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.1 tt -98.5 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.3 pt-20 -167.45 142.49 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.68 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.86 -178.8 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 mt -109.32 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.013 0.435 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -128.07 138.97 52.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.471 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.99 123.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 46' ' ' ILE . 77.4 mt -102.47 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -105.36 153.48 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.777 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 7.9 t30 -103.51 -168.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -71.16 -27.42 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.5 11.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.342 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 68.9 31.33 4.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -105.83 143.24 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.81 138.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 11.4 tp -57.9 146.45 32.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -151.99 160.68 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 83' ' ' PHE . 8.7 mm -105.04 154.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.25 177.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -22.91 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.212 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.67 27.66 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 45.5 44.59 9.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.373 . . . . 0.0 111.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -107.19 137.96 19.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.488 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.1 Cg_endo -75.1 94.93 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.423 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.618 HD22 ' HG3' ' A' ' 135' ' ' LYS . 0.9 OUTLIER -110.97 140.79 45.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 21.0 m-85 -89.53 123.58 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.46 151.77 51.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.635 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.523 0.201 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 46' ' ' ILE . 21.7 m-85 -78.31 161.46 27.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.828 0.347 . . . . 0.0 110.967 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.9 mp -91.37 132.97 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mm -105.99 114.29 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.83 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.839 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -89.87 129.61 36.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 92' ' ' ILE . 20.8 m-85 -100.25 154.05 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 111.04 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 5' ' ' LEU . 4.5 tptt -88.61 117.8 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.4 -0.28 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.15 105.94 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.88 98.87 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.839 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.3 m -123.34 170.61 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.579 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.1 p -138.92 121.48 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.747 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.608 HD11 ' CE2' ' A' ' 115' ' ' PHE . 3.3 mt -86.99 121.1 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.849 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 p -132.22 138.53 47.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' SER . 11.6 p -104.34 131.51 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -126.62 136.96 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.286 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.87 -80.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -96.64 -26.98 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.066 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 123.07 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.03 122.1 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -138.6 124.56 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.7 m -100.79 141.9 33.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' A' ' 81' ' ' ILE . 40.0 tp -73.27 104.98 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 130.27 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 p -99.93 101.42 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -66.95 -152.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.425 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.77 -72.12 0.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.665 0.269 . . . . 0.0 111.425 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -6.67 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.7 mt -103.03 159.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.409 . . . . 0.0 111.364 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 74' ' ' LEU . 33.1 mm -112.92 135.38 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.74 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m -155.31 147.49 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -87.72 114.44 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.51 124.03 38.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.05 99.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.6 ptm -177.82 137.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -76.72 155.08 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.49 130.78 31.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.483 2.122 . . . . 0.0 112.052 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.22 161.87 20.19 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.524 2.149 . . . . 0.0 112.674 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -88.71 -40.42 13.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.442 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -124.75 129.27 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 50.2 mt -115.04 -10.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.29 29.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 111.4 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.63 137.07 16.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.6 p -80.61 4.01 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 99.82 1.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.986 0.422 . . . . 0.0 111.564 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.427 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.32 173.82 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.637 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.91 -1.07 46.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.418 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 pt -115.71 -27.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.722 0.296 . . . . 0.0 111.423 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.1 mm -57.26 142.64 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.527 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 4.8 m-85 -133.59 126.47 31.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.671 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 118' ' ' SER . 1.9 m-85 -85.81 95.61 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.334 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.405 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 8.0 tt0 -95.53 121.97 37.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 143.38 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.561 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -59.8 144.76 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.462 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 150' ' ' MET . 18.7 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.878 0.37 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HD2' HG23 ' A' ' 152' ' ' THR . 30.0 mmmt -81.02 157.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.8 mmt -129.32 156.65 43.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -125.97 139.44 53.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.0 m-85 -99.53 123.01 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 tt0 -118.69 158.68 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.61 131.61 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.454 ' HA ' ' CD2' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -55.68 -35.23 65.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 62.9 m -59.96 -71.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 119' ' ' SER . 57.6 m-85 -159.92 -179.18 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.74 -173.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.57 -28.31 16.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -129.36 126.74 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 19.2 m-85 -127.77 137.74 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.1 mt -67.98 115.0 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.0 176.09 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.62 129.22 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.58 127.96 55.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.04 95.29 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.6 105.75 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 59.42 -111.72 0.55 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.756 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.61 17.64 21.12 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.666 0.27 . . . . 0.0 111.26 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' LEU . 5.9 mt -138.57 137.15 36.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.67 100.18 13.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.618 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.6 mttt -89.61 130.8 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.403 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 125' ' ' LEU . 1.9 tp -84.37 126.41 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.586 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.44 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -132.83 175.56 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 111.108 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 81' ' ' ILE . 15.3 tp -104.07 111.01 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.473 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -145.06 171.64 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 96.51 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.859 ' CD ' HD13 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -62.85 170.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -79.9 -48.88 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.462 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -106.49 123.6 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.2 mt -68.16 -24.34 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.08 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.26 25.09 27.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.29 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.4 132.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -29.09 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.01 -27.24 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.859 HD13 ' CD ' ' A' ' 141' ' ' GLU . 5.4 pt -113.7 21.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 106' ' ' VAL . 10.4 mtt -116.83 125.68 51.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 3.9 m-85 -113.95 164.66 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -116.31 130.64 56.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.3 t -123.7 125.49 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.03 161.91 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.719 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -84.96 129.79 34.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.791 0.329 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.41 147.35 18.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -88.19 116.28 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -74.85 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.4 pt-20 -177.46 145.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 t -107.27 134.37 50.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -148.87 166.04 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -88.29 140.79 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.656 ' O ' HG21 ' A' ' 46' ' ' ILE . 2.0 p -139.77 142.76 36.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.62 103.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.5 mt -88.51 107.66 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -116.31 169.19 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.45 -164.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? -74.14 -28.51 61.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.87 11.53 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.427 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.38 39.71 2.17 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -110.04 129.9 55.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.91 147.43 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -75.81 151.99 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -156.78 163.17 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.617 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.3 mm -97.0 153.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.16 179.28 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.27 -19.11 61.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.19 16.38 49.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.855 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 57.91 44.6 19.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.11 141.51 26.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' C ' HD23 ' A' ' 29' ' ' LEU . 74.4 Cg_endo -75.29 97.77 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.2 mt -116.0 134.87 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 96.4 m-85 -84.34 161.44 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.1 149.43 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.746 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.7 tt . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.464 0.173 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 46' ' ' ILE . 76.3 m-85 -77.9 159.49 28.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -101.02 125.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.7 mm -98.46 129.33 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.29 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -111.12 107.3 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.8 mtm -80.98 125.93 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -94.37 146.48 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 5' ' ' LEU . 3.2 tptm -91.67 108.42 19.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.1 ttp -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.98 101.63 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' MET . 27.4 m -129.05 170.41 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.307 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 100' ' ' ILE . 80.5 p -142.81 129.07 19.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HE2' ' A' ' 115' ' ' PHE . 2.9 mp -96.43 123.71 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 141.31 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.29 143.62 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -136.57 141.34 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.036 0.446 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -82.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.206 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -95.49 -27.11 15.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 109.996 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 122.72 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.165 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.81 132.17 32.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 t -145.8 153.64 41.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -129.49 139.59 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD11 ' CG2' ' A' ' 81' ' ' ILE . 20.5 tp -70.34 115.36 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -123.08 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 21.9 p -109.2 101.97 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.64 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -97.88 -72.13 0.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -6.58 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.6 mt -107.47 166.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.2 mm -113.54 143.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -156.72 142.19 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -83.02 113.39 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -95.1 127.93 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.31 98.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.5 ptm -173.11 131.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -71.91 145.66 89.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.23 127.34 24.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.161 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 72.5 Cg_endo -76.63 161.05 34.36 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.433 2.088 . . . . 0.0 112.404 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.87 -30.85 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -150.63 105.39 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 94' ' ' ASP . 14.5 mt -83.51 151.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.068 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -78.94 -32.23 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.371 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 92' ' ' ILE . 13.0 m-20 -98.27 154.17 17.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 m -80.04 -11.47 59.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 100.13 3.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.818 0.342 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.418 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 157.0 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -62.8 -21.37 65.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 pt -92.95 -30.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.292 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.9 mm -59.34 132.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.31 144.1 51.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.6 m-85 -101.97 96.31 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.684 ' OE1' HG21 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -82.3 130.82 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.06 27.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.4 OUTLIER -63.33 146.66 53.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.453 HG11 ' SD ' ' A' ' 150' ' ' MET . 42.0 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.736 ' HD2' HG23 ' A' ' 152' ' ' THR . 1.7 mmmm -95.51 170.38 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.405 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.4 OUTLIER -150.33 154.9 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -120.38 136.64 54.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.719 ' HE2' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -95.9 108.1 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -104.89 157.62 17.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.07 153.55 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 2.4 p -71.25 -39.25 71.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 4.9 t -65.48 -67.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 119' ' ' SER . 85.6 m-85 -159.37 -177.66 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.92 -174.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.31 -25.41 15.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.634 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.16 141.21 40.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.802 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 24.3 m-85 -136.64 135.89 38.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 137' ' ' ILE . 3.1 mt -68.2 108.96 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.384 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -111.71 178.65 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.194 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.0 p -112.81 153.46 27.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -139.58 129.53 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.94 96.93 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.781 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 107.08 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 60.88 -112.4 0.51 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.79 17.7 20.95 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 122.345 -0.222 . . . . 0.0 111.486 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 29' ' ' LEU . 8.0 mt -137.96 144.57 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.675 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.454 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 58.8 m-85 -97.21 101.16 12.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.047 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.2 mttt -89.06 144.43 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.355 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.708 ' HG ' HD22 ' A' ' 125' ' ' LEU . 2.7 tp -100.81 128.49 46.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.737 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -135.04 176.27 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.771 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.6 tp -106.63 113.19 26.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.481 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -152.75 -179.58 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.178 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 127.63 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.586 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 143' ' ' GLU . 7.0 tp10 -94.11 166.1 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 4.5 t70 -79.51 16.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.563 ' H ' ' HG3' ' A' ' 141' ' ' GLU . 28.2 mt-10 -160.84 121.9 2.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.88 -22.64 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.62 20.43 50.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.374 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 143' ' ' GLU . 3.4 t0 -83.15 124.93 30.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.805 0.336 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.11 -31.06 60.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.303 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.6 m -53.93 -30.04 44.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.467 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.9 pt -104.05 17.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.484 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.514 ' O ' HD21 ' A' ' 15' ' ' LEU . 23.2 mtm -123.7 126.61 46.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.68 177.98 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -117.11 136.45 52.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.684 HG21 ' OE1' ' A' ' 103' ' ' GLN . 7.9 t -126.93 120.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.11 161.94 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.788 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.4 OUTLIER -91.01 133.78 35.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.889 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.33 159.27 24.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -86.44 129.07 34.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -91.99 -58.0 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -175.67 145.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.29 135.1 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.37 -177.04 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.85 120.49 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -124.42 135.54 53.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.39 126.73 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.17 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 49' ' ' ILE . 26.0 mt -108.99 114.46 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -117.3 162.59 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 45.3 p30 -107.67 -162.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.9 mm? -72.95 -28.11 62.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.084 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.58 11.46 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.544 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 t70 67.18 31.36 6.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.72 137.22 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.794 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.46 140.8 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -68.7 119.7 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.19 153.15 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.026 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.885 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.7 mm -92.78 150.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -109.69 178.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.55 -20.52 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.05 22.24 29.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.696 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.0 32.59 21.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.8 134.49 23.04 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.17 94.88 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.621 2.214 . . . . 0.0 112.436 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 133' ' ' LEU . 1.1 mt -111.88 134.23 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.702 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -83.85 125.97 32.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.52 174.73 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.676 0.274 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 5.9 m-85 -77.9 152.15 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.996 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.589 ' O ' HD13 ' A' ' 49' ' ' ILE . 4.5 mp -81.29 153.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 48' ' ' ILE . 20.2 mm -127.21 118.33 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.982 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.78 122.93 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.994 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.43 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 6.5 mtm -94.82 128.69 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -96.81 150.38 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.4 tptt -87.39 103.62 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.662 -0.175 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -99.45 125.53 45.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.13 114.43 19.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.3 170.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -150.99 119.14 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.08 130.59 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 142.47 30.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 47' ' ' PHE . 10.9 p -101.86 136.39 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HG2' HG23 ' A' ' 71' ' ' ILE . 39.5 mtpt -126.85 137.21 53.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.326 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t 178.8 -78.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -28.19 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.173 0.511 . . . . 0.0 109.91 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 123.64 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.078 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.444 HG23 ' HG2' ' A' ' 67' ' ' LYS . 10.4 mt -63.6 118.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.423 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -128.84 148.15 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.816 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -121.14 133.45 55.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.2 tp -67.84 102.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 p -110.38 146.83 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -115.99 104.84 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.85 -101.45 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -97.82 -70.71 0.71 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.979 0.418 . . . . 0.0 110.629 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.78 -6.61 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.2 mt -104.92 171.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 138' ' ' LEU . 37.9 mm -117.96 132.4 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -143.79 151.65 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.885 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 30.2 m-85 -94.66 121.25 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.42 114.31 28.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.78 97.96 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.657 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -172.02 134.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -72.79 143.98 85.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.17 132.29 51.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 112.162 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.37 174.15 13.3 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.456 2.104 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.18 -37.08 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.754 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.88 113.88 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.569 ' CD1' HD11 ' A' ' 100' ' ' ILE . 35.6 mt -98.24 124.96 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -52.35 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.712 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 158.07 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -86.53 -23.05 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 105.33 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.401 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.87 156.0 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' HG23 ' A' ' 99' ' ' ILE . 2.6 p30 -63.38 -26.26 68.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' OD1' ' A' ' 98' ' ' ASP . 44.7 pt -88.6 -32.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 92' ' ' ILE . 36.3 mm -59.14 135.37 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 13.7 m-85 -129.33 150.42 50.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.807 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.61 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.623 ' OE1' HG21 ' A' ' 153' ' ' VAL . 9.1 tt0 -74.73 132.94 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -136.04 116.1 13.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -58.89 150.04 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.775 HG11 ' SD ' ' A' ' 150' ' ' MET . 47.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.245 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 t30 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -105.37 168.97 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.63 156.17 43.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.028 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.3 124.27 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 61.1 m-85 -88.25 100.69 13.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.8 158.68 18.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.16 148.19 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.5 p -63.04 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -66.85 -67.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.01 -170.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.09 24.73 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.461 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -78.36 -11.04 85.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -149.95 145.35 26.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 140' ' ' LYS . 24.0 m-85 -135.2 139.36 44.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.8 mt -63.49 114.3 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.797 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -118.44 175.97 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 18.3 t -112.34 142.42 44.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.22 128.17 47.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 99.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.47 109.54 20.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 57.49 -112.94 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -109.69 17.53 21.18 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.513 0.197 . . . . 0.0 111.409 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 29' ' ' LEU . 9.4 mt -135.58 144.73 46.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.991 0.424 . . . . 0.0 111.537 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -96.78 100.74 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.123 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.494 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -90.89 132.08 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.007 0.432 . . . . 0.0 111.805 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 151' ' ' PHE . 4.3 tp -85.8 137.88 32.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.573 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -148.92 -179.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.127 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.729 ' HB2' HD11 ' A' ' 81' ' ' ILE . 11.5 tp -106.97 119.68 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 16.0 ptmt -157.3 175.35 14.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -118.79 101.42 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.471 ' HB2' HG21 ' A' ' 149' ' ' ILE . 2.7 mm-40 -60.41 170.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.79 -30.72 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.53 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.49 123.85 41.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.504 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.402 ' CD2' ' HE2' ' A' ' 140' ' ' LYS . 11.4 mt -67.08 -22.8 65.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.07 30.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.217 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.65 123.06 33.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.459 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.58 -25.56 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 p -54.39 -29.2 48.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.549 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.3 pt -106.73 15.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.432 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.775 ' SD ' HG11 ' A' ' 106' ' ' VAL . 7.0 mtt -111.98 132.18 54.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 136' ' ' LEU . 59.2 m-85 -118.66 173.11 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.3 129.39 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.623 HG21 ' OE1' ' A' ' 103' ' ' GLN . 5.1 t -113.86 129.93 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.041 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -123.87 161.9 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.11 131.87 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 151.62 23.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -73.24 117.84 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.9 tt -78.42 -53.11 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 5' ' ' LEU . 8.6 pt-20 -176.34 127.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.43 120.54 41.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -142.75 177.28 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 48' ' ' ILE . 15.4 mt -102.29 117.59 35.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -123.56 134.45 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.639 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 t -81.13 135.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 19' ' ' VAL . 59.9 mt -109.26 128.59 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -135.69 161.94 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.45 -165.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.368 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.0 mm? -70.41 -28.53 65.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.69 11.94 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.47 21.35 12.44 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.33 128.78 41.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.236 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.9 p -86.25 139.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.294 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.9 tp -64.51 137.68 57.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.46 156.64 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 12.7 mm -99.07 144.03 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.681 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.4 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -57.33 -22.03 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.16 24.97 29.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.576 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.539 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.5 p-10 44.78 30.42 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.486 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.96 139.18 21.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 94.99 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.458 2.105 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -107.27 153.5 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 17.1 m-85 -100.69 125.04 47.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.74 174.74 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 2.6 m-85 -77.93 144.94 36.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.586 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.5 mp -68.99 133.92 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.1 mm -111.02 114.61 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.07 125.14 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.74 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -99.95 122.13 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.761 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -96.01 144.06 26.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.774 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.2 tptt -75.73 120.3 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.89 113.86 25.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.856 0.36 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 110.06 15.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.999 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG12 ' HG3' ' A' ' 51' ' ' MET . 21.5 m -126.33 170.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.272 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 100' ' ' ILE . 32.1 p -150.22 117.09 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.04 129.47 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 128.74 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.35 139.89 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -129.14 133.73 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.276 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.05 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -26.77 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 0.0 109.854 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.32 123.51 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.126 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.73 118.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.341 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.68 132.5 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.2 m -118.62 135.39 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.602 HD11 ' CG2' ' A' ' 81' ' ' ILE . 19.5 tp -62.34 106.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -118.65 133.46 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.1 p -95.45 101.56 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.49 -152.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -40.28 -31.96 0.16 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 111.722 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.1 mt -77.77 162.42 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 138' ' ' LEU . 39.9 mm -101.5 137.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -156.69 137.67 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.627 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.9 m-85 -76.28 98.1 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.43 118.66 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.05 97.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.7 ptm -177.75 138.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -72.97 139.97 80.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 130.04 37.2 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.462 2.108 . . . . 0.0 112.23 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.51 157.84 57.73 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.36 2.04 . . . . 0.0 112.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.78 -38.1 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.41 98.56 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 100' ' ' ILE . 19.7 mt -82.81 127.81 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -33.09 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 92' ' ' ILE . 6.0 m-20 -89.96 158.15 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -86.96 -16.41 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 101.1 4.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.83 162.65 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.72 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.39 -20.44 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -96.02 -28.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.376 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 92' ' ' ILE . 35.5 mm -62.85 137.17 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.259 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -129.43 150.75 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.39 91.96 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.282 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.04 119.91 34.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.586 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.3 tpt180 -143.52 146.46 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.119 0.485 . . . . 0.0 111.03 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -55.93 142.61 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.447 HG11 ' SD ' ' A' ' 150' ' ' MET . 3.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.97 160.51 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 16.7 mmt -124.12 153.53 41.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.35 129.01 49.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.554 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 25.0 m-85 -96.36 115.05 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.912 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 26.8 tt0 -112.01 158.82 19.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 140.33 55.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.838 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.9 p -58.44 -47.51 83.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -160.09 179.34 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.33 -175.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.08 -26.6 22.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.481 ' HB3' HD11 ' A' ' 138' ' ' LEU . 6.2 m-85 -134.9 116.05 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 44.8 m-85 -119.29 144.34 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.745 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.2 mt -66.85 138.76 57.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.558 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -145.03 -177.05 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 15.1 p -117.98 112.5 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.8 129.71 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.61 104.01 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.44 102.34 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 60.63 -110.6 0.45 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.599 0.238 . . . . 0.0 111.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.94 141.04 40.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 111.289 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -98.36 100.25 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.371 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -87.87 123.84 33.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 126' ' ' ALA . 1.6 tp -70.12 138.56 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.572 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -149.35 -179.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.804 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.3 tp -107.52 113.87 27.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.637 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -149.01 174.54 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.08 100.87 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 149' ' ' ILE . 7.0 mm-40 -60.36 178.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.7 -27.49 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.88 132.82 49.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.0 -24.05 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.57 23.21 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.347 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.51 121.63 27.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.743 0.306 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.623 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.96 -25.68 44.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.269 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.6 m -54.76 -32.58 60.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.931 0.396 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.725 HG23 ' HG3' ' A' ' 141' ' ' GLU . 21.9 pt -102.31 16.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.048 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.447 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.5 mtt -111.05 122.34 47.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 3.1 m-85 -110.26 167.77 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.37 132.34 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.4 144.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -135.14 161.94 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.35 133.16 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.82 150.47 22.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -76.3 108.54 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -70.01 -58.49 3.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.0 pt-20 -174.97 130.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -106.96 124.59 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -150.9 -176.96 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.26 125.24 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -129.96 129.65 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.64 140.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -120.73 115.69 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -108.21 165.72 11.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -108.79 -169.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 150' ' ' MET . 3.0 mm? -73.31 -23.96 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -90.31 11.52 21.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.362 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t0 68.65 28.99 5.55 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 111.028 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -92.41 -176.3 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.99 134.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 111.161 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.973 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.5 tp -71.59 125.38 26.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -145.97 160.56 41.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 83' ' ' PHE . 11.0 mm -91.62 145.57 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -106.14 -175.85 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.5 -20.53 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.47 18.52 44.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.624 ' HA ' HG23 ' A' ' 22' ' ' ILE . 3.8 t-20 57.74 38.71 27.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -106.79 139.69 20.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 96.33 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.549 2.166 . . . . 0.0 112.399 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD13 HD22 ' A' ' 133' ' ' LEU . 8.4 mt -113.78 140.49 48.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.973 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 79.1 m-85 -95.33 129.18 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.62 140.64 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 120.586 0.232 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.9 m-85 -77.9 159.53 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.253 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.7 mp -83.67 142.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 64' ' ' ILE . 27.8 mm -117.14 120.68 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.54 116.95 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.782 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.731 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.1 mtm -89.22 124.88 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -99.92 145.35 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' LEU . 36.1 tptt -81.55 117.71 22.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.68 -0.168 . . . . 0.0 112.68 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 ttp -86.07 116.88 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 112.65 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.2 m -135.39 168.89 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.16 116.25 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -89.02 130.84 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.12 131.01 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.44 141.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -135.75 139.97 43.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -75.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.784 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 123.8 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.253 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.02 120.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.299 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -136.88 147.03 46.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 m -123.44 144.84 49.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 22.2 tp -77.96 118.22 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 p -128.16 135.75 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.7 p -104.33 101.59 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -95.96 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -97.85 -76.59 0.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.924 0.393 . . . . 0.0 110.536 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -6.8 9.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.981 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.72 167.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.688 ' CG2' HD11 ' A' ' 74' ' ' LEU . 37.9 mm -102.99 139.96 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 p -143.74 150.07 38.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 22' ' ' ILE . 11.1 m-85 -100.94 123.54 45.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 118.97 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.7 99.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 1.4 ptm -176.67 127.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.426 ' O ' ' HE3' ' A' ' 86' ' ' MET . 30.0 p-10 -63.0 153.08 82.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 132.61 30.66 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.55 2.167 . . . . 0.0 112.268 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.12 171.32 15.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.555 2.17 . . . . 0.0 112.375 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -97.05 -42.82 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -128.46 125.89 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.8 HG22 ' H ' ' A' ' 94' ' ' ASP . 47.7 mt -109.99 143.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 13.78 23.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.75 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.8 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.2 p30 -128.28 143.47 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.778 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 -1.73 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.561 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.3 100.02 0.51 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.81 170.84 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 99' ' ' ILE . 15.8 p30 -71.35 -21.38 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.458 HG23 ' OD1' ' A' ' 98' ' ' ASP . 4.3 pt -93.73 -30.0 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.3 mm -59.81 135.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -129.69 138.37 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.54 100.23 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -85.82 137.89 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.44 120.78 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.467 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 1.6 m -54.28 167.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.633 HG11 ' SD ' ' A' ' 150' ' ' MET . 54.3 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HD2' HG23 ' A' ' 152' ' ' THR . 27.8 mmmt -105.69 152.48 23.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.146 0.498 . . . . 0.0 111.319 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.467 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -141.78 167.81 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.169 -179.673 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -132.04 137.34 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 125' ' ' LEU . 10.4 m-85 -96.99 111.44 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -107.15 157.42 17.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.4 t -68.3 153.29 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.5 p -66.34 -42.45 88.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -57.49 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.07 -178.16 6.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.98 -175.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.681 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.64 -21.78 29.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.691 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.34 127.38 17.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.8 0.333 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 144' ' ' LEU . 9.4 m-85 -122.02 140.17 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 115' ' ' PHE . 6.4 mt -68.93 110.34 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -112.22 177.46 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.3 p -120.4 132.36 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 126.8 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.4 OUTLIER -85.24 106.57 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -121.18 115.45 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 59.94 -117.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -109.62 17.51 21.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.309 -0.245 . . . . 0.0 111.246 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.68 HD22 HD13 ' A' ' 29' ' ' LEU . 10.1 mt -130.98 142.86 50.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.068 0.461 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -102.27 100.33 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.958 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 166.3 18.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.348 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.6 tp -119.78 138.13 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.69 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.12 175.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -104.54 109.2 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.602 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.2 ptmt -141.91 176.08 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.458 ' HE2' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -123.97 99.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.47 178.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.799 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.88 -26.32 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.6 130.55 34.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 124' ' ' PHE . 17.0 mt -65.89 -23.37 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.95 19.74 50.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.288 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.91 121.69 27.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.672 0.273 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.56 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -55.94 -28.46 57.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.8 pt -108.61 13.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.633 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.4 mtm -112.73 134.99 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.674 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -124.47 176.99 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.428 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -114.15 128.28 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.65 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.73 118.04 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 161.3 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.05 125.59 37.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 95' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.792 0.33 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.66 164.81 28.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -86.11 117.94 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -86.77 -57.48 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.58 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.6 pt-20 -171.63 143.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -110.07 121.09 44.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -144.85 176.18 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -101.45 148.11 25.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.597 ' O ' HG21 ' A' ' 46' ' ' ILE . 12.5 m -143.17 140.11 30.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.77 104.06 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 49' ' ' ILE . 22.9 mt -87.57 110.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HE ' HG22 ' A' ' 19' ' ' VAL . 1.7 mtt180 -111.41 158.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -98.42 -167.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.0 mm? -76.07 -24.95 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.23 11.58 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.324 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.4 29.83 3.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -92.85 -175.2 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG22 ' HE ' ' A' ' 13' ' ' ARG . 25.9 t -131.84 133.41 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -64.79 142.82 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.52 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.756 HG13 HG21 ' A' ' 66' ' ' VAL . 9.3 mm -104.99 145.6 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.94 -177.83 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -20.19 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.12 19.28 38.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.742 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HA ' HG23 ' A' ' 22' ' ' ILE . 0.7 OUTLIER 57.87 47.54 15.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -108.92 132.86 20.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.59 100.15 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.477 2.118 . . . . 0.0 112.174 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.3 mt -124.73 145.39 49.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.037 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 86.0 m-85 -99.35 123.51 43.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -135.88 157.63 46.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 47' ' ' PHE . 4.0 tt . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.721 ' N ' HG23 ' A' ' 46' ' ' ILE . 43.7 m-85 -77.84 128.04 33.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.9 mp -74.05 131.37 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 12' ' ' ILE . 16.0 mm -115.59 121.61 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -108.86 122.21 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.811 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.2 mtm -92.41 128.76 38.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -97.01 155.7 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.6 tptt -89.57 111.39 22.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.41 112.06 24.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.72 104.39 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.0 m -129.55 170.45 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.62 HG21 HD12 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -142.45 116.66 9.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.772 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 49' ' ' ILE . 2.7 mp -90.11 134.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 t -148.03 146.49 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.756 HG21 HG13 ' A' ' 22' ' ' ILE . 12.6 p -102.18 137.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 71' ' ' ILE . 27.4 mtpt -131.12 140.63 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 111.346 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.56 -79.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.46 -26.95 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 109.848 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.84 123.08 4.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 67' ' ' LYS . 17.4 mt -65.82 121.82 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.336 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.09 129.6 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.791 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 26.5 m -101.75 138.81 38.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.649 HD11 ' CG2' ' A' ' 81' ' ' ILE . 18.4 tp -66.58 103.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.681 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.77 125.87 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.1 p -101.7 103.26 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.08 -101.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -98.15 -69.47 0.76 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.888 0.375 . . . . 0.0 110.51 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -6.73 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.173 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.7 mt -106.95 164.43 4.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.858 0.361 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 138' ' ' LEU . 43.5 mm -110.09 131.78 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 p -139.12 135.78 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.3 m-85 -82.36 113.8 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.77 128.57 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.94 97.91 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.7 ptm -173.99 129.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.98 155.73 70.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.79 120.6 7.8 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.505 2.136 . . . . 0.0 112.162 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.55 176.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.364 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -109.14 -30.71 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.767 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -155.91 92.02 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 100' ' ' ILE . 32.1 mt -75.58 126.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -54.15 48.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.06 158.13 23.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 2' ' ' PHE . 46.5 p -86.54 -21.08 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.56 103.29 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.423 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.82 161.83 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -69.07 -19.78 64.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 63' ' ' THR . 1.9 pt -97.67 -29.74 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 63' ' ' THR . 30.0 mm -59.09 143.32 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -132.81 152.29 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -112.1 94.0 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.445 ' OE1' HG21 ' A' ' 153' ' ' VAL . 6.5 tt0 -76.15 135.38 39.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -139.15 116.96 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.0 p -60.56 163.49 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.72 HG21 ' SD ' ' A' ' 150' ' ' MET . 42.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HZ1' HD13 ' A' ' 15' ' ' LEU . 3.4 mmmm -79.8 164.43 23.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -138.07 164.39 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -137.91 133.75 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.696 ' CG ' HD12 ' A' ' 125' ' ' LEU . 27.7 m-85 -95.26 126.78 40.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 124' ' ' PHE . 30.0 tt0 -116.01 158.84 22.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 t -65.52 139.81 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -59.35 -36.33 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -60.88 -69.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -160.02 -178.42 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -176.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.71 -25.34 15.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.54 142.7 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' A' ' 116' ' ' GLU . 13.5 m-85 -139.27 160.35 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.696 HD12 ' CG ' ' A' ' 115' ' ' PHE . 10.9 mt -70.46 131.61 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.71 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.606 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -137.49 167.85 20.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 p -113.76 125.54 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.19 126.89 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.76 103.25 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.85 117.07 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 59.37 -117.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.58 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.56 17.51 21.29 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.337 -0.227 . . . . 0.0 111.421 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 29' ' ' LEU . 11.8 mt -133.94 144.16 48.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.519 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -101.71 100.34 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.998 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.595 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.03 170.92 14.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.7 134.33 53.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.686 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -145.72 174.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.195 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.711 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.8 tp -99.29 106.32 18.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.606 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 0.8 OUTLIER -142.58 169.03 18.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -124.0 98.9 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 149' ' ' ILE . 9.8 mm-40 -60.44 176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -31.33 39.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.66 123.7 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 140' ' ' LYS . 7.4 mt -68.67 -24.41 64.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.06 24.81 26.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -87.62 123.85 32.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -24.14 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 p -54.84 -29.02 54.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.524 HG23 ' HG3' ' A' ' 141' ' ' GLU . 46.7 pt -109.93 13.13 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.429 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.72 ' SD ' HG21 ' A' ' 106' ' ' VAL . 6.1 mtm -111.89 133.01 54.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.599 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -125.03 174.61 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 140.73 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.445 HG21 ' OE1' ' A' ' 103' ' ' GLN . 4.4 t -129.55 118.56 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -112.19 161.94 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -89.42 133.78 34.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 9.1 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.681 0.277 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' ASN . . . -159.16 161.41 32.0 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.759 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.57 134.89 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.2 tt -95.71 -49.75 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HG2' HD22 ' A' ' 5' ' ' LEU . 3.8 pt-20 -177.1 142.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -109.74 127.73 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 -177.68 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.8 mt -107.95 124.5 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.591 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.67 133.83 47.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.556 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' HA ' HD12 ' A' ' 46' ' ' ILE . 26.5 t -81.25 133.32 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.5 mt -115.29 108.32 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.049 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -101.9 156.8 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -100.79 -172.86 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm? -63.18 -30.58 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.97 11.48 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.364 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.58 29.9 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -102.16 136.03 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.03 136.83 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 30' ' ' PHE . 19.5 tp -67.92 145.95 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -156.55 166.83 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 26' ' ' ASN . 7.7 mm -101.09 150.35 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -176.33 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -61.56 -19.46 62.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.49 14.49 56.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.723 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.524 ' HA ' HG23 ' A' ' 22' ' ' ILE . 20.9 t-20 55.76 69.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -141.12 141.68 24.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.7 Cg_endo -74.9 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.49 2.127 . . . . 0.0 112.319 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 133' ' ' LEU . 1.7 mt -114.44 137.18 52.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.762 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CE2' HD13 ' A' ' 20' ' ' LEU . 32.2 m-85 -87.57 124.57 33.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -136.91 166.95 22.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.622 0.249 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' N ' HG23 ' A' ' 46' ' ' ILE . 52.3 m-85 -78.19 166.32 22.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.063 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 48' ' ' ILE . 4.3 mp -97.63 123.64 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.575 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.439 HD12 HG13 ' A' ' 64' ' ' ILE . 23.9 mm -98.12 125.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.351 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -108.02 107.59 18.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.797 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.72 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.5 mtm -80.97 133.45 35.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 98.1 m-85 -107.44 162.55 13.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -87.89 120.91 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.731 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 ttm -97.14 112.16 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.46 112.27 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.72 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.1 m -137.68 170.59 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.512 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.66 121.24 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG13 HD12 ' A' ' 49' ' ' ILE . 3.6 mp -93.29 121.41 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 136.71 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 13.7 p -92.9 136.3 25.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG2' HG23 ' A' ' 71' ' ' ILE . 17.0 mttt -131.83 137.76 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.314 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 -78.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.831 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 -27.88 13.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.591 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.69 127.91 10.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.925 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.455 HG23 ' HG2' ' A' ' 67' ' ' LYS . 62.6 mt -77.73 118.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.444 . . . . 0.0 111.295 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 m -133.23 144.42 49.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 m -122.78 133.1 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.49 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.9 tp -62.04 116.84 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -123.07 128.73 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.0 101.47 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -155.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.61 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -42.54 -30.42 0.35 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.534 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.0 142.85 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 138' ' ' LEU . 36.1 mm -90.26 127.35 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.5 p -147.71 141.15 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -81.38 116.79 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.6 133.05 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.57 100.31 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -178.01 129.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -66.87 148.62 98.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 127.08 24.47 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.456 2.104 . . . . 0.0 112.214 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.67 155.43 59.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.438 2.092 . . . . 0.0 112.209 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -91.2 -29.81 17.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.593 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.404 ' HA ' ' HA2' ' A' ' 3' ' ' GLY . 1.6 t30 -159.69 102.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.547 HG22 ' H ' ' A' ' 94' ' ' ASP . 8.0 mt -81.05 150.96 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -81.63 -30.46 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.4 m-20 -94.97 158.11 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -85.78 -12.28 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.409 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 101.7 3.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.404 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.82 172.67 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.673 ' OD1' HG23 ' A' ' 99' ' ' ILE . 12.9 p30 -75.7 -18.13 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.673 HG23 ' OD1' ' A' ' 98' ' ' ASP . 33.4 pt -95.76 -30.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.443 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 44.1 mm -59.24 140.58 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -131.49 146.22 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 5.6 m-85 -103.54 93.47 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.505 ' CD ' HG21 ' A' ' 153' ' ' VAL . 10.7 tt0 -94.22 115.66 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 7.9 tpt180 -138.7 145.81 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 111.191 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.406 ' CB ' ' HE2' ' A' ' 113' ' ' MET . 0.7 OUTLIER -58.98 143.94 46.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.149 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.009 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' SER . 14.1 mmmm -66.62 156.53 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.406 ' HE2' ' CB ' ' A' ' 105' ' ' SER . 17.7 mmt -126.43 151.79 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -123.45 130.05 52.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.0 m-85 -96.56 111.51 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.762 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.434 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -110.6 158.56 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -67.8 148.81 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 91.0 p -63.49 -41.36 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 13.2 t -59.21 -76.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CG ' ' O ' ' A' ' 119' ' ' SER . 94.7 m-85 -157.51 -176.15 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.06 -174.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.46 -14.94 57.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.726 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.19 117.07 8.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 20.6 m-85 -119.51 141.64 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -71.41 127.11 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.742 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -132.14 174.06 10.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.74 118.31 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.798 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.26 128.26 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 107.79 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -121.3 102.5 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 61.38 -113.4 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.52 17.54 21.28 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.599 0.238 . . . . 0.0 111.25 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 29' ' ' LEU . 8.4 mt -136.76 139.83 42.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.409 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.91 100.83 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.239 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.596 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -87.88 123.47 32.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.96 137.66 45.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.697 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.38 -179.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.766 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 81' ' ' ILE . 8.9 tp -113.89 112.73 23.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.427 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.02 176.89 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.322 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.56 93.48 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 149' ' ' ILE . 32.2 mm-40 -60.62 173.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -28.35 39.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.47 123.64 41.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.94 -22.86 62.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.14 22.43 36.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.222 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.89 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.65 -26.06 61.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -54.85 -28.43 49.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.742 HG22 ' HB2' ' A' ' 126' ' ' ALA . 23.6 pt -105.51 11.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.498 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 24.0 mtt -106.18 148.2 28.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.724 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -129.93 171.68 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.18 130.68 52.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.505 HG21 ' CD ' ' A' ' 103' ' ' GLN . 12.8 t -115.27 143.44 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.308 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.37 161.97 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.23 131.33 34.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 123.03 1.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.416 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tpmt? -59.44 118.59 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -81.78 -55.99 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.57 ' HG2' HD22 ' A' ' 5' ' ' LEU . 11.8 pt-20 -176.73 142.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.19 123.79 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HE3' ' A' ' 51' ' ' MET . 35.7 pttt -146.81 158.8 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 48' ' ' ILE . 8.6 mt -80.99 123.69 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.755 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -129.3 135.49 48.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.591 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.7 t -81.56 130.24 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 49' ' ' ILE . 35.6 mt -108.74 112.74 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 169.85 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 49.3 p30 -122.27 -163.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 15' ' ' LEU . 1.1 mm? -72.62 -26.84 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.45 11.51 19.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.419 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 63.95 31.57 13.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -107.46 141.88 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.58 138.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.2 tp -63.93 131.99 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.8 157.19 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 26' ' ' ASN . 9.9 mm -99.7 141.04 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -105.97 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.22 -23.47 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.42 30.82 8.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.707 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.8 p-10 44.93 34.5 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.796 0.332 . . . . 0.0 111.437 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 137.38 22.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.11 97.61 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.531 2.154 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 HD22 ' A' ' 133' ' ' LEU . 3.0 mt -116.29 134.58 54.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.715 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 93.9 m-85 -83.79 132.46 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -137.98 140.72 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.721 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -77.78 146.93 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.944 -179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 mp -72.01 157.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 48' ' ' ILE . 25.4 mm -128.84 121.36 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 114.32 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.5 mtm -88.64 129.46 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 4' ' ' LYS . 13.4 m-85 -102.77 157.11 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.043 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 5' ' ' LEU . 18.2 tptt -98.9 115.34 28.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.589 -0.205 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 ttm -74.44 117.1 15.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 118.36 21.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.491 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.2 m -142.29 169.63 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.9 p -147.5 112.45 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 HD12 ' A' ' 49' ' ' ILE . 5.3 mt -83.86 136.82 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.48 138.66 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.105 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.84 143.82 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.902 ' HE2' HD13 ' A' ' 71' ' ' ILE . 17.3 mttt -135.49 136.38 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.528 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t 179.12 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.851 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -102.18 -26.52 13.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.931 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 125.07 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.121 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.902 HD13 ' HE2' ' A' ' 67' ' ' LYS . 18.3 mt -64.76 109.33 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.43 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -119.0 145.11 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -117.95 139.88 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 81' ' ' ILE . 65.0 tp -77.07 109.55 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -121.78 145.61 47.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 81' ' ' ILE . 27.3 p -109.24 114.96 29.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.697 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -100.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.03 -67.77 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.398 . . . . 0.0 110.613 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -124.57 -6.52 7.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.4 mt -107.4 169.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.74 ' CG2' HD11 ' A' ' 74' ' ' LEU . 41.9 mm -108.59 148.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.07 162.26 39.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 9.6 m-85 -104.83 118.6 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.44 108.63 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.99 97.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.696 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -171.18 136.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.902 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.2 m120 -68.93 152.19 96.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.682 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 132.29 31.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.63 174.96 11.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.365 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -104.92 -47.46 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.4 mt -85.91 141.72 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -32.09 40.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 92' ' ' ILE . 17.0 m-20 -86.29 149.73 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -12.19 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 100.16 3.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -92.88 152.73 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -59.54 -24.84 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -88.62 -30.76 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 97' ' ' SER . 34.7 mm -61.44 128.92 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.02 146.66 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 7.4 m-85 -105.39 91.33 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -75.12 132.36 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -136.68 120.34 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.4 158.55 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.669 HG11 ' SD ' ' A' ' 150' ' ' MET . 46.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.76 164.53 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -138.82 165.52 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.711 ' NE2' HD12 ' A' ' 149' ' ' ILE . 0.7 OUTLIER -138.8 121.98 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.724 ' HB2' HD12 ' A' ' 125' ' ' LEU . 34.6 m-85 -86.03 120.77 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 4.5 tt0 -105.01 158.83 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 139.31 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 5.9 p -60.48 -42.24 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 t -58.63 -67.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.06 -179.54 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.67 -175.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.82 -45.82 1.26 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.04 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 7.6 m-85 -122.44 150.37 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 115' ' ' PHE . 5.6 mt -67.31 135.93 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -146.91 160.76 41.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.34 131.45 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.1 132.76 51.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -79.46 131.53 36.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.52 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 6.4 mt-10 -144.9 95.99 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.412 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 83.6 mtt180 61.71 -105.85 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.369 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -110.2 17.49 20.9 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 122.244 -0.285 . . . . 0.0 111.695 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -138.91 139.55 38.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.154 0.502 . . . . 0.0 111.917 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 129' ' ' LYS . 6.6 m-85 -102.99 100.15 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.326 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.431 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -81.79 171.11 14.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.542 -178.726 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 125' ' ' LEU . 13.8 tp -124.74 134.73 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -179.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.596 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -104.59 118.38 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.8 ptmt -153.92 177.77 10.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 111.076 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 101.7 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.698 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.475 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.5 mm-40 -60.53 171.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -29.77 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.8 125.41 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.501 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.8 -22.3 66.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.019 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.39 21.25 43.72 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.212 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -86.73 121.1 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.611 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.94 -25.96 33.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.7 p -54.28 -30.16 49.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.711 HD12 ' NE2' ' A' ' 114' ' ' GLN . 22.6 pt -107.49 15.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.669 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.2 mtt -110.01 135.84 50.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.6 171.5 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.68 140.62 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.98 135.56 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 161.84 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.56 132.49 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.739 0.304 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.8 165.29 26.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -97.83 114.64 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -77.65 -59.03 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.1 pt-20 -172.65 142.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 t -112.16 130.56 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 176.56 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 48' ' ' ILE . 13.2 mt -94.46 126.18 39.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.59 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -127.36 129.53 47.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.48 128.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.7 mt -111.44 116.02 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.088 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -112.63 155.16 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -97.66 -167.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.0 mm? -68.67 -31.43 70.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -89.81 11.5 19.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.38 32.85 2.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -100.32 131.81 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.23 138.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.669 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 21.4 tp -77.14 114.98 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.65 158.81 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.849 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.3 mm -89.01 147.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.69 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.32 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.66 -19.72 59.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.86 18.9 36.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.691 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HG23 ' A' ' 22' ' ' ILE . 9.3 m-80 56.99 64.31 1.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.935 0.398 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.4 mtt85 -133.79 134.59 23.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 27' ' ' ARG . 9.3 Cg_exo -71.97 105.48 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.646 2.231 . . . . 0.0 112.185 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 28' ' ' PRO . 3.6 mt -127.15 133.84 50.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -87.31 133.63 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -158.29 162.15 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.636 0.255 . . . . 0.0 110.825 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -77.99 160.92 27.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.289 -179.356 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.462 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.1 mp -88.34 139.85 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -115.09 133.43 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -116.08 124.13 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.669 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.9 mtm -97.59 124.52 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 24.8 m-85 -88.23 152.39 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 5' ' ' LEU . 17.1 tptt -99.97 103.54 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -89.03 118.85 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.0 104.92 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HG3' ' A' ' 51' ' ' MET . 25.0 m -133.71 166.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.557 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.8 p -148.52 132.5 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' THR . 3.5 mp -99.48 138.99 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.22 137.98 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.43 144.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -132.26 145.84 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.031 0.444 . . . . 0.0 111.353 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.74 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -25.82 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.835 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.76 124.76 4.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.202 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -68.04 122.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.3 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -132.1 148.68 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 64' ' ' ILE . 28.3 m -129.33 140.22 51.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 81' ' ' ILE . 18.8 tp -68.75 103.02 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 130.66 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 23.6 p -104.55 105.01 14.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -54.69 -100.09 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -97.96 -69.17 0.77 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.941 0.4 . . . . 0.0 110.712 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -6.59 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.282 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -107.94 172.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.682 HG21 HD11 ' A' ' 74' ' ' LEU . 36.9 mm -115.11 139.37 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 m -149.01 139.72 22.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.849 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 22.0 m-85 -84.28 115.17 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -98.41 125.53 43.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.56 97.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.439 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 2.0 ptm -175.17 147.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -79.47 154.85 76.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 28.4 Cg_endo -62.95 120.88 8.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.59 2.193 . . . . 0.0 112.174 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 24.4 Cg_exo -62.27 154.79 60.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.379 2.053 . . . . 0.0 112.31 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -96.26 -24.98 15.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.93 87.26 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -69.99 148.18 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 35.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -148.34 153.42 38.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -85.6 -5.48 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 100.01 1.72 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.417 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 150.62 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -60.41 -22.13 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.24 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.6 pt -92.7 -29.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.387 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 63' ' ' THR . 32.8 mm -64.7 141.67 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -132.12 153.09 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.41 96.45 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.175 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.5 129.9 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.747 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.7 120.63 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.1 p -56.03 166.88 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' SD ' ' A' ' 150' ' ' MET . 41.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.788 0.328 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.57 ' HD2' HG23 ' A' ' 152' ' ' THR . 13.1 mmmm -71.0 154.19 42.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -134.49 168.3 19.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -140.6 126.68 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 90.2 m-85 -88.1 119.85 28.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tm-20 -108.62 158.74 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 135.56 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -58.78 -40.68 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 0.1 OUTLIER -60.62 -72.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 21.8 p90 -160.05 179.73 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.0 -174.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 -27.71 18.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -132.52 109.95 10.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 5.5 m-85 -114.4 146.41 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 136' ' ' LEU . 1.6 mt -70.4 121.72 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.682 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.698 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -129.65 167.16 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.08 134.65 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -108.45 136.58 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -87.02 108.74 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -123.25 107.96 12.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 59.61 -114.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -109.5 17.58 21.24 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.557 0.218 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -131.34 137.58 48.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.464 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 32.1 m-85 -98.22 100.23 11.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.731 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.31 169.86 16.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.34 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 125' ' ' LEU . 4.1 tp -129.58 132.07 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -143.73 178.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.96 111.08 23.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.597 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -146.6 177.06 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.668 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.25 100.08 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.8 mm-40 -60.48 171.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.96 -30.36 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -125.6 125.23 42.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.423 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.6 18.87 55.58 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.322 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.03 125.19 31.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.44 -25.79 51.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.143 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.433 ' N ' ' HD3' ' A' ' 147' ' ' ARG . 2.8 p -55.74 -26.59 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.4 pt -108.62 13.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.451 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 106' ' ' VAL . 8.7 mtm -117.85 148.16 42.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.732 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 2.4 m-85 -137.91 177.83 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -122.44 131.76 54.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.99 134.89 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -134.08 161.88 33.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.67 132.26 34.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 2.1 t80 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -159.91 179.96 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.268 -0.968 . . . . 0.0 113.007 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.05 132.0 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 111.238 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -88.48 -48.65 7.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.643 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.0 pt-20 -177.28 137.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 132.24 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -149.24 163.88 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 48' ' ' ILE . 20.9 mt -96.5 122.99 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 3.8 m -126.9 136.77 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.41 ' HA ' HD12 ' A' ' 46' ' ' ILE . 30.9 t -81.13 137.02 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.52 112.29 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.337 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 19' ' ' VAL . 22.8 mtt85 -116.4 145.64 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.699 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -85.64 -168.46 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.9 mm? -74.48 -27.26 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -89.91 11.61 19.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 71.51 36.67 1.25 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -110.51 129.54 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 13' ' ' ARG . 23.0 t -84.03 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.45 148.42 37.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.82 164.69 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.463 HG12 ' CE2' ' A' ' 47' ' ' PHE . 15.4 mm -100.34 151.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.801 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -114.74 -179.27 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.81 -20.38 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.06 22.08 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.458 ' HA ' HG23 ' A' ' 22' ' ' ILE . 76.3 m-20 58.34 31.85 21.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.569 ' HB3' HD21 ' A' ' 29' ' ' LEU . 4.7 mtt-85 -93.36 132.87 29.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.563 ' C ' HD23 ' A' ' 29' ' ' LEU . 68.6 Cg_endo -74.07 97.46 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.384 2.056 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -117.74 141.07 48.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -87.09 133.69 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -137.32 170.61 15.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 46' ' ' ILE . 49.7 m-85 -78.04 129.42 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.2 mp -68.06 131.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.727 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.41 108.45 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.19 110.08 22.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.835 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.06 131.03 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 2' ' ' PHE . 8.8 m-85 -102.53 149.03 24.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.7 tptm -77.59 119.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.5 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG2' HG13 ' A' ' 62' ' ' VAL . 48.9 ttp -70.81 120.93 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.76 116.5 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.835 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.5 m -140.87 170.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.38 109.29 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 47' ' ' PHE . 1.7 mp -82.67 125.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.81 139.43 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 11.8 p -97.66 136.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HG3' HD13 ' A' ' 48' ' ' ILE . 10.4 mttp -125.21 137.54 54.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.362 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 t 178.8 -83.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.04 -32.64 16.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 123.68 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.549 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.4 118.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.225 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 m -126.25 137.9 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 m -114.47 138.84 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.0 tp -74.39 120.87 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -123.53 141.45 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.04 101.54 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.92 -154.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -40.79 -31.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.612 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.52 -33.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mt -74.66 148.38 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.886 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 138' ' ' LEU . 35.9 mm -102.67 137.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -152.09 145.93 25.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -88.93 105.39 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.76 123.5 31.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 100.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -177.75 124.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -63.01 151.13 86.75 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.88 133.4 41.45 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.451 2.1 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.18 160.54 32.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.519 2.146 . . . . 0.0 112.441 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.1 -30.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -141.93 124.59 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.7 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.44 HD12 ' HD2' ' A' ' 2' ' ' PHE . 6.7 mt -108.57 131.04 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -38.54 67.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.985 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -105.08 158.14 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -17.72 41.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 100.01 5.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.98 165.42 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 179.663 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -66.75 -16.69 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 pt -99.91 -29.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 111.28 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 97' ' ' SER . 33.2 mm -59.03 139.16 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.153 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -132.04 155.24 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.785 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.89 102.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 153' ' ' VAL . 11.1 tt0 -86.77 131.92 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.13 121.44 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.35 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.4 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -58.1 151.07 19.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 150' ' ' MET . 48.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.577 0.227 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' CD ' HG23 ' A' ' 152' ' ' THR . 6.5 mmmm -94.07 153.73 17.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.969 0.414 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.434 ' SD ' HG23 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -146.23 163.61 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.211 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.469 ' OE1' HD12 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -127.96 137.11 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -97.09 114.03 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.1 tt0 -108.41 150.95 26.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.94 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -60.12 -32.72 71.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.68 -70.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -160.04 173.17 16.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -175.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.52 -45.95 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -115.57 130.66 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 18.6 m-85 -127.98 141.54 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 136' ' ' LEU . 4.8 mt -69.95 108.32 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.549 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -112.42 -175.29 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.207 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.32 132.21 56.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.97 125.23 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -78.93 95.61 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.687 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.55 110.09 21.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 60.69 -114.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.61 17.43 21.33 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 122.345 -0.222 . . . . 0.0 111.427 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 29' ' ' LEU . 10.0 mt -136.07 139.78 43.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.96 0.409 . . . . 0.0 111.428 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -97.94 100.24 11.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.91 179.247 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -82.62 170.91 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 125' ' ' LEU . 5.5 tp -115.65 119.91 37.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -129.26 176.5 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.0 tp -107.49 108.47 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.456 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.446 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -147.29 175.67 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.271 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.435 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -124.04 98.78 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.652 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.616 ' HG3' HG23 ' A' ' 149' ' ' ILE . 66.5 mm-40 -60.31 175.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.8 -32.39 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -117.33 123.21 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.813 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.486 ' N ' HD23 ' A' ' 144' ' ' LEU . 5.0 mt -69.3 -25.24 64.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.061 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.22 17.11 58.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -78.87 119.11 21.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -25.54 11.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 m -53.95 -38.33 64.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.616 HG23 ' HG3' ' A' ' 141' ' ' GLU . 38.9 pt -97.08 13.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.308 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' MET . . . . . 0.441 ' SD ' HG11 ' A' ' 106' ' ' VAL . 14.4 mtm -116.69 126.99 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.655 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -113.13 177.14 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' THR . . . . . 0.406 HG23 ' CD ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -119.63 130.0 54.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.815 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 103' ' ' GLN . 9.2 t -119.72 127.22 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.046 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.96 161.84 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.92 133.04 33.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.817 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.65 171.53 36.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.767 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 133.33 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.3 tt -92.37 -57.35 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.1 pt-20 -169.73 133.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -101.08 132.25 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HE2' ' HE1' ' A' ' 51' ' ' MET . 39.6 pttt -149.75 175.64 11.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.84 126.62 50.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.8 m -128.81 140.54 51.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.479 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.07 137.89 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 30' ' ' PHE . 44.8 mt -113.93 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.121 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.43 153.22 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.92 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -110.82 -173.7 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.015 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.599 ' H ' HD22 ' A' ' 15' ' ' LEU . 2.6 mm? -57.79 -24.81 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.268 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.92 11.31 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 59.09 25.66 14.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.671 0.272 . . . . 0.0 111.302 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.81 -163.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.42 133.58 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 19.7 tp -59.5 149.86 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.6 164.96 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 111.067 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.572 HD11 ' CE2' ' A' ' 83' ' ' PHE . 10.6 mm -99.36 148.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -111.03 171.49 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.0 -25.7 5.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.94 38.24 3.38 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.2 p-10 44.91 35.81 1.66 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.48 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.27 129.09 38.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.481 ' C ' HD23 ' A' ' 29' ' ' LEU . 58.8 Cg_endo -71.82 103.09 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.387 2.058 . . . . 0.0 112.215 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 4.2 mt -118.27 139.43 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 12' ' ' ILE . 32.3 m-85 -94.84 119.38 33.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -148.46 153.18 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 46' ' ' ILE . 62.3 m-85 -78.09 149.4 33.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 110.779 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 48' ' ' ILE . 5.0 mp -85.19 128.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.23 115.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.47 110.21 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.849 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -82.99 125.93 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.79 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 32.7 m-85 -98.54 158.63 15.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HD12 ' A' ' 5' ' ' LEU . 13.2 tptt -79.53 120.36 23.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 114.19 28.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.761 0.315 . . . . 0.0 111.032 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.71 17.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.7 m -132.79 170.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.443 ' CG2' HD13 ' A' ' 100' ' ' ILE . 33.5 p -142.05 118.09 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.1 125.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 133.76 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 22' ' ' ILE . 14.5 p -93.47 144.27 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -136.46 136.79 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.402 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.9 t 176.76 -79.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.21 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -94.2 -28.3 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.118 0.485 . . . . 0.0 110.008 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 123.08 2.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.8 mt -63.34 121.69 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.379 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.33 133.1 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.6 m -114.96 139.24 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.597 HD23 ' CE2' ' A' ' 101' ' ' PHE . 7.0 tp -71.2 105.39 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.777 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -111.34 132.44 54.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.9 p -100.67 101.56 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.817 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -43.7 -30.37 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.817 0.342 . . . . 0.0 111.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 -32.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mt -78.53 147.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 138' ' ' LEU . 31.6 mm -99.51 138.71 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -159.14 140.01 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -78.28 101.3 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -81.27 123.46 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.73 97.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -177.21 132.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -75.53 146.39 80.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.85 132.76 48.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.495 2.13 . . . . 0.0 112.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 159.48 44.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.401 2.067 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.33 -42.19 26.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.55 120.12 9.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.725 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.534 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.9 mt -93.22 147.07 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -34.11 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 92' ' ' ILE . 9.9 m-20 -92.58 151.47 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -79.98 -17.58 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 101.73 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.86 170.94 9.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.758 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.551 ' OD1' HG23 ' A' ' 99' ' ' ILE . 11.6 p30 -74.53 -23.32 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.551 HG23 ' OD1' ' A' ' 98' ' ' ASP . 2.6 pt -92.89 -28.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.3 mm -59.68 138.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 56.2 m-85 -131.77 147.12 52.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.719 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 3.0 m-85 -105.25 94.57 5.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 153' ' ' VAL . 5.9 tt0 -94.32 112.72 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -125.74 151.71 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.5 p -70.39 134.52 47.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.138 -179.793 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.944 0.402 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -99.66 174.43 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 137.36 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 0.6 OUTLIER -109.26 140.25 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.805 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.463 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 10.4 m-85 -103.16 113.68 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 12.5 tt0 -110.45 158.93 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.68 139.14 51.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.435 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 1.4 t -57.31 -26.59 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.128 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.39 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -160.76 84.63 0.69 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.582 0.23 . . . . 0.0 111.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.98 -171.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.242 0.544 . . . . 0.0 111.642 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.96 -27.24 21.08 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.416 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 138' ' ' LEU . 17.6 m-85 -149.47 124.83 10.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 43.2 m-85 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 8.3 mt -73.31 117.95 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -121.31 -179.79 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.88 143.47 45.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.39 124.88 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.3 95.55 7.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.83 105.17 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.683 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 61.82 -113.44 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -109.69 17.55 21.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.583 0.23 . . . . 0.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.43 140.5 44.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.989 0.423 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -98.47 100.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.87 130.54 34.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 111.351 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.32 127.96 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.446 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -136.8 176.75 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -108.45 109.55 20.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.912 0.386 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -144.27 -176.71 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . 0.491 ' HZ2' ' HA ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER -124.04 100.14 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.46 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -60.32 169.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.92 -30.45 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.2 123.36 40.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.31 -22.64 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.25 23.88 31.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.141 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.25 122.55 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.3 ppt_? -56.14 -25.43 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -54.39 -28.85 46.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.9 pt -105.86 15.37 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -113.1 145.47 40.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -134.43 170.5 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 133.85 54.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 103' ' ' GLN . 2.4 t -119.33 125.71 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.76 162.11 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.51 131.69 34.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 121.144 0.497 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 1.7 t80 -50.38 169.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.764 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.98 155.2 26.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.8 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -84.57 134.79 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.1 tt -93.7 -55.05 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.8 pt-20 -175.18 136.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -103.25 129.52 50.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -155.02 160.84 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.19 135.68 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 47.0 m -138.99 134.45 33.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.646 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.54 125.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.99 105.38 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.25 155.51 17.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -99.3 -168.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.9 mm? -72.15 -30.75 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.11 11.58 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 t70 74.87 38.03 0.48 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.922 0.391 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.19 135.44 47.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG21 ' HE2' ' A' ' 33' ' ' MET . 21.4 t -89.68 135.43 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.184 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.7 tp -60.94 136.43 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.65 162.26 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.626 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.5 mm -113.54 154.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.0 m-20 -122.18 -177.11 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -57.08 -22.06 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.15 24.54 31.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.434 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER 45.26 32.86 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.466 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -94.64 134.22 25.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 94.87 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 133' ' ' LEU . 3.7 mt -102.16 -178.97 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 10.0 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.39 174.71 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.5 138.72 36.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.638 ' HE2' HG21 ' A' ' 19' ' ' VAL . 7.7 mtm -145.74 125.95 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 p -74.93 -54.9 6.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.93 22.22 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -97.51 -62.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -95.55 -34.07 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.8 t -76.8 -10.99 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.269 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -47.77 -36.61 11.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.52 87.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.68 48.35 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -58.05 135.05 84.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 32.3 Cg_exo -58.11 -52.65 5.41 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.457 2.104 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -57.23 152.92 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -149.02 126.8 11.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -74.28 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 3.6 m-85 -77.95 164.54 25.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 111.278 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.523 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.4 mp -88.39 145.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 48' ' ' ILE . 26.3 mm -121.5 117.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -101.38 117.63 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.476 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -88.88 131.56 35.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 71.1 m-85 -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.8 tptp -81.86 116.91 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.14 130.3 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -97.59 59.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.1 154.03 39.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.05 -38.95 89.73 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.607 2.205 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.1 102.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.33 117.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.56 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.19 112.63 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.6 m -132.43 170.14 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.485 ' CG2' HD13 ' A' ' 100' ' ' ILE . 16.9 p -151.92 121.4 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.91 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.7 p -143.83 123.2 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' HD1' ' A' ' 47' ' ' PHE . 12.1 p -89.56 129.32 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 126.71 49.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.2 t 179.31 -82.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.341 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.83 -30.2 21.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.32 122.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.981 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.52 119.98 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.464 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -136.35 128.71 30.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 m -102.13 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 81' ' ' ILE . 15.3 tp -72.85 121.16 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.464 ' HB3' HG22 ' A' ' 99' ' ' ILE . 8.6 p -132.81 128.13 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.13 103.2 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.78 -97.73 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.919 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -70.23 0.73 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -7.62 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.257 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.92 167.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.581 HG21 HD11 ' A' ' 74' ' ' LEU . 43.2 mm -103.47 137.58 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 p -140.88 140.18 34.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.626 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 10.0 m-85 -93.53 114.24 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -96.79 119.37 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.34 97.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -179.9 137.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.13 150.32 97.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.98 125.1 17.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.498 2.132 . . . . 0.0 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.06 159.7 17.7 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.417 2.078 . . . . 0.0 112.311 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.7 -27.15 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.656 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -156.68 115.97 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.56 144.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -47.45 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.23 150.7 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.749 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.3 p -79.86 -16.35 55.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.4 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 100.2 4.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.73 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -72.17 -20.41 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.464 HG22 ' HB3' ' A' ' 75' ' ' SER . 3.2 pt -96.34 -28.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 63' ' ' THR . 48.0 mm -58.61 143.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.235 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -130.17 145.05 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.718 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 2.8 m-85 -104.59 99.24 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 5.4 tt0 -87.63 132.73 33.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -139.3 117.58 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -54.02 148.27 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 ' SD ' ' A' ' 150' ' ' MET . 45.4 t -93.67 132.87 29.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -80.46 122.46 4.56 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.664 2.243 . . . . 0.0 112.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.6 39.01 4.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.292 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -151.91 -176.01 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.462 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.83 -67.25 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -160.01 39.19 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 15' ' ' LEU . 23.5 mmmt -72.78 160.65 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.5 mmt -138.56 159.44 42.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 106' ' ' VAL . 5.7 mt-30 -123.08 128.17 49.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.4 m-85 -91.43 117.58 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 14.6 tt0 -119.14 158.73 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.2 t -63.55 144.97 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 29.3 p -59.22 -40.72 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t -60.1 -74.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.95 -169.45 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.72 -173.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 113.79 -37.33 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -139.21 127.5 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.41 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 27.8 m-85 -121.43 145.45 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 137' ' ' ILE . 7.4 mt -70.27 139.13 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -143.42 175.33 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 p -115.41 120.68 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 131.93 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -84.27 98.38 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.98 113.19 25.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 60.59 -115.59 0.68 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.64 17.42 21.33 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 122.384 -0.197 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 29' ' ' LEU . 11.4 mt -135.11 142.86 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.423 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -98.92 100.28 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.042 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.6 169.62 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.404 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.44 ' HG ' HD22 ' A' ' 125' ' ' LEU . 3.9 tp -120.38 130.4 54.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.658 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -141.19 -179.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.7 tp -111.31 110.23 20.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 178.22 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.7 ' HZ2' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -124.01 94.91 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.87 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 149' ' ' ILE . 5.7 mm-40 -65.27 170.56 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -30.78 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.33 126.29 50.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.7 HD21 ' HZ2' ' A' ' 140' ' ' LYS . 12.4 mt -76.54 -20.42 56.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.045 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.2 19.29 53.23 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.092 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -86.37 122.95 31.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.826 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' A' ' 15' ' ' LEU . 1.2 ptt180 -54.53 -27.02 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.7 m -54.38 -29.55 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.572 HG22 ' HB2' ' A' ' 126' ' ' ALA . 19.2 pt -108.26 17.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.784 ' SD ' HG21 ' A' ' 106' ' ' VAL . 9.0 mtt -111.48 143.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.78 165.75 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.32 135.41 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -122.77 127.61 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 161.68 23.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.46 132.59 34.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 114.31 27.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.923 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -167.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.24 147.2 9.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tpmt? -84.97 112.91 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.588 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -71.93 -59.39 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.588 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.0 pt-20 -177.3 139.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -111.64 135.38 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 -175.79 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.15 134.87 45.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.0 t -88.42 103.83 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.091 0.472 . . . . 0.0 110.984 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' H ' HD13 ' A' ' 46' ' ' ILE . 50.1 mt -84.53 108.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -108.0 148.34 29.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 5.4 t30 -91.8 -171.1 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -72.54 -23.27 60.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.76 11.55 19.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.354 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.81 31.65 4.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -95.0 -168.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.35 131.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.25 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 30' ' ' PHE . 11.8 tp -72.28 141.05 48.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.42 158.77 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.663 HG23 ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm -90.29 145.24 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.35 -175.03 2.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.28 -19.86 56.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.8 19.56 35.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.799 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.663 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER 55.26 47.58 21.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -113.47 140.95 25.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.997 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.66 95.07 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.527 2.151 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.8 mt -111.03 144.9 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.735 ' CE2' HD13 ' A' ' 20' ' ' LEU . 10.6 m-85 -100.75 123.51 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -143.48 159.84 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.98 148.9 29.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.3 mtm -150.81 141.83 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -74.91 -69.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 58.91 39.43 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -97.35 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.37 -41.38 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 t -69.81 -11.75 61.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.41 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -53.95 -36.94 63.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 111.231 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.11 50.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.412 . . . . 0.0 110.966 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -69.63 135.72 88.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -58.22 -63.07 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.389 2.059 . . . . 0.0 112.372 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.35 -171.84 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.55 164.22 16.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.729 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.6 tt -66.67 -161.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.762 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.729 ' N ' HG23 ' A' ' 46' ' ' ILE . 77.5 m-85 -77.94 137.96 38.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.662 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.0 mp -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.63 121.98 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.61 109.34 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.513 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.4 mtm -81.66 125.49 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -97.66 143.05 28.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.0 tptt -71.37 119.79 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 147.71 41.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 p -83.06 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -71.25 138.47 84.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.86 97.95 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -161.61 95.95 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.31 152.88 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.421 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG2' HG13 ' A' ' 62' ' ' VAL . 22.9 ttp -94.01 111.09 22.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.96 104.32 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 51' ' ' MET . 28.4 m -130.58 169.72 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.32 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.598 ' CG2' HD13 ' A' ' 100' ' ' ILE . 29.1 p -136.21 122.56 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mt -86.68 130.48 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 p -150.02 135.3 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.57 151.56 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.645 ' HE2' HD13 ' A' ' 71' ' ' ILE . 77.6 mttt -135.13 141.04 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.12 0.486 . . . . 0.0 111.429 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.5 t 177.44 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.169 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.29 -27.15 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.093 0.473 . . . . 0.0 109.918 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.57 122.81 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.989 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.665 HD12 ' ND2' ' A' ' 87' ' ' ASN . 61.7 mt -62.94 120.62 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.14 0.495 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 t -128.49 145.77 51.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.3 m -118.97 149.5 41.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 81' ' ' ILE . 15.6 tp -75.21 104.55 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 115.04 29.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.0 p -92.1 101.55 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.62 -98.85 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -97.97 -73.82 0.6 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -6.71 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.05 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.7 mt -106.91 165.91 4.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 74' ' ' LEU . 44.7 mm -104.63 133.1 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -139.14 136.67 35.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 8.0 m-85 -87.12 122.61 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.13 119.76 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 97.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.34 134.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.665 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.3 m-20 -68.37 145.92 97.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.62 125.57 19.46 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.434 2.089 . . . . 0.0 112.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.01 168.28 6.15 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.395 2.064 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -108.12 -26.49 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.778 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -157.96 104.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.57 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.3 mt -93.72 147.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.39 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.57 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -97.61 158.05 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -88.98 -7.64 55.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.399 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 100.04 3.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 167.57 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -69.05 -17.37 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.212 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.413 HD12 HG21 ' A' ' 63' ' ' THR . 3.5 pt -99.65 -28.46 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.296 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.598 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.0 mm -57.23 145.29 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 125' ' ' LEU . 39.4 m-85 -137.46 147.32 45.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.32 89.95 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.601 ' CD ' HG21 ' A' ' 153' ' ' VAL . 5.4 tt0 -93.7 111.57 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -123.4 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.44 150.16 40.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.806 HG21 ' SD ' ' A' ' 150' ' ' MET . 33.7 t -91.72 139.29 24.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 50.4 Cg_exo -52.93 163.95 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.489 2.126 . . . . 0.0 112.342 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.22 -138.92 14.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -119.34 -36.83 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.39 166.18 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -106.29 50.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 106' ' ' VAL . 0.7 OUTLIER -83.94 163.46 19.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.6 134.61 20.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.393 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.688 ' HG3' HG22 ' A' ' 106' ' ' VAL . 13.2 mt-30 -105.81 141.22 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.654 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.437 ' HB3' HD12 ' A' ' 125' ' ' LEU . 22.5 m-85 -105.14 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -112.51 158.71 19.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -63.87 156.77 26.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -70.83 -43.16 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.8 t -60.58 -75.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.18 -169.73 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.36 -173.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.11 -28.28 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.375 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.437 ' HB3' HD21 ' A' ' 138' ' ' LEU . 24.7 m-85 -136.25 126.55 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 22.0 m-85 -126.15 137.73 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 136' ' ' LEU . 7.9 mt -69.68 115.45 8.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -121.06 170.69 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.5 p -104.3 123.32 47.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 126.03 48.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.45 132.93 35.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.686 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 12.6 mt-10 -145.04 96.21 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 0.0 111.602 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 61.37 -105.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.374 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -110.17 17.46 20.95 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 122.266 -0.271 . . . . 0.0 111.662 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -139.63 151.85 46.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.836 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 129' ' ' LYS . 4.5 m-85 -110.85 100.27 9.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.865 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.607 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -89.87 127.33 35.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 111.426 -179.121 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 125' ' ' LEU . 2.5 tp -76.19 139.65 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.21 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.678 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -105.13 111.0 23.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 18.6 ptmt -142.76 170.52 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.432 ' NZ ' HD21 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -111.67 94.77 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.589 179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.861 ' CD ' HD13 ' A' ' 149' ' ' ILE . 11.0 pm0 -60.49 172.32 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.84 -41.68 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.89 121.88 43.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.38 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.627 ' O ' HD11 ' A' ' 149' ' ' ILE . 5.7 mt -68.03 -21.61 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.77 25.38 25.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.057 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.01 128.12 37.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.27 -30.79 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.424 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 m -52.98 -28.12 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.257 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.861 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.5 pt -105.31 22.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.417 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.806 ' SD ' HG21 ' A' ' 106' ' ' VAL . 26.9 mtt -117.26 163.88 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -148.71 168.02 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.04 127.54 54.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.601 HG21 ' CD ' ' A' ' 103' ' ' GLN . 3.0 t -112.52 114.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.77 162.07 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -89.91 122.71 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.371 . . . . 0.0 110.812 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.25 129.4 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.882 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 8.5 t80 -131.53 154.83 48.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.448 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.99 162.11 32.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.776 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -83.4 135.32 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.429 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.46 -57.55 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -165.66 125.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -100.26 126.27 46.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 47' ' ' PHE . 6.4 mt -99.5 124.46 44.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.58 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.3 132.19 51.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.498 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 t -80.99 124.3 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.09 112.05 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.127 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -111.65 168.3 9.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.54 -165.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -66.01 -32.68 74.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -90.37 11.61 20.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.321 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 66.67 30.66 8.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -94.91 130.31 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' A' ' 33' ' ' MET . 21.4 t -83.97 134.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.5 tp -58.17 128.17 35.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.21 165.44 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.86 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.8 mm -106.93 153.96 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.766 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.53 -179.12 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.27 -21.06 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 21.56 38.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.689 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 88.6 m-20 58.03 30.18 18.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.731 0.3 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.528 ' HB3' HD21 ' A' ' 29' ' ' LEU . 21.0 mtt85 -93.82 143.85 27.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.562 ' C ' HD23 ' A' ' 29' ' ' LEU . 91.4 Cg_endo -79.75 94.96 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.609 2.206 . . . . 0.0 112.351 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 133' ' ' LEU . 2.1 mt -113.65 135.73 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 45.1 m-85 -89.28 127.33 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.77 174.67 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.78 167.38 20.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.403 ' HG3' HG21 ' A' ' 19' ' ' VAL . 45.7 mtm -114.16 107.46 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -136.66 -81.66 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 47.58 35.52 4.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -56.78 -24.38 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -95.72 -28.56 14.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.08 -18.19 33.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.31 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -55.91 -28.44 56.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 111.056 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.51 -29.27 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.55 36.16 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.111 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -170.26 132.85 1.02 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.1 Cg_exo -66.24 -39.59 17.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.459 2.106 . . . . 0.0 112.207 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 61.07 96.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 46' ' ' ILE . 51.9 m -153.74 160.34 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.608 HG23 ' N ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -67.19 173.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.608 ' N ' HG23 ' A' ' 46' ' ' ILE . 8.8 m-85 -78.02 163.39 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.983 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.5 mp -83.19 136.33 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -112.5 113.96 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.97 114.41 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.872 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.9 mtm -89.87 127.23 35.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 56.3 m-85 -106.8 156.66 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -95.99 125.77 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.071 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.62 148.36 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -78.4 78.83 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.29 150.69 40.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 -42.07 3.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.538 2.159 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.94 87.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.5 166.53 38.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.291 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.74 125.54 45.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.04 119.75 32.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.872 HG12 ' HG3' ' A' ' 51' ' ' MET . 35.7 m -138.21 170.7 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 111.589 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -150.42 107.83 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.02 140.53 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.62 128.87 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' CD1' ' A' ' 47' ' ' PHE . 10.7 p -89.35 137.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.867 ' HE2' HD13 ' A' ' 71' ' ' ILE . 31.9 mttt -131.27 138.21 49.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.496 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.96 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.842 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -101.18 -27.33 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.012 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 122.5 1.24 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.306 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.867 HD13 ' HE2' ' A' ' 67' ' ' LYS . 16.7 mt -60.72 110.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.186 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -123.88 138.06 54.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.782 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 m -110.36 146.22 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.4 tp -75.1 114.33 13.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.777 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 p -119.93 137.42 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.43 102.69 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -54.19 -100.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -98.05 -72.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.967 0.413 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.68 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.012 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.8 mt -106.17 164.89 4.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.986 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.4 mm -113.96 146.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.06 141.04 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.86 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.8 m-85 -84.45 111.58 19.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.46 123.47 34.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.08 97.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.42 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -176.66 126.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.763 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.534 ' ND2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -62.89 144.2 96.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -51.52 134.08 45.17 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.532 2.154 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.42 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 65.1 Cg_endo -73.75 168.9 23.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.454 2.103 . . . . 0.0 112.235 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.19 -31.92 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -143.11 94.06 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 17.8 mt -79.53 138.74 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER -73.93 -32.52 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.618 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.529 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -90.3 158.08 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.818 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -20.47 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 100.23 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.423 ' OG ' HG12 ' A' ' 100' ' ' ILE . 4.3 p -92.91 173.79 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 99' ' ' ILE . 17.7 p30 -71.52 -18.71 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 98' ' ' ASP . 17.9 pt -92.4 -30.72 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.618 0.246 . . . . 0.0 111.402 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.423 HG12 ' OG ' ' A' ' 97' ' ' SER . 29.3 mm -59.69 130.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 125' ' ' LEU . 49.3 m-85 -122.74 140.4 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 118' ' ' SER . 2.5 m-85 -100.98 99.56 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.73 ' OE1' HG21 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -85.06 123.72 30.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.658 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 120.72 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -64.41 145.4 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.642 HG11 ' SD ' ' A' ' 150' ' ' MET . 41.4 t -96.86 132.11 26.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.72 172.16 13.61 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.01 -98.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -136.27 -50.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -172.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.766 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.74 72.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.058 0.456 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -93.33 174.51 7.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.971 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.32 145.54 30.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -116.42 139.06 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.718 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 3.3 m-85 -101.77 118.97 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -117.55 154.58 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 t -66.05 140.66 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 1.5 t -59.56 -30.69 68.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.9 m -64.0 -73.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 -170.36 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.22 -174.36 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.81 -19.75 52.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.579 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.13 123.29 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 17.1 m-85 -129.83 137.31 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 101' ' ' PHE . 7.1 mt -66.34 108.45 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.762 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.561 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -111.8 179.74 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 22.1 p -119.35 119.9 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.8 129.33 45.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -91.13 113.04 25.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 119.98 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 59.0 -118.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.509 0.195 . . . . 0.0 111.457 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 29' ' ' LEU . 11.2 mt -129.52 157.53 41.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.947 0.403 . . . . 0.0 111.584 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -113.87 99.9 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.82 122.56 30.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.713 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.4 tp -82.35 126.01 31.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.78 -179.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.25 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 81' ' ' ILE . 24.3 tp -106.44 109.67 21.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.561 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 20.2 ptmt -142.82 171.58 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.41 101.01 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.791 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.57 167.26 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -79.96 -30.14 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -125.25 128.45 48.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.642 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.47 -23.27 65.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.58 25.98 20.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.164 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -88.97 120.06 30.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.655 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.2 -24.87 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.454 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.426 ' N ' ' HD2' ' A' ' 147' ' ' ARG . 2.5 m -58.22 -24.09 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 126' ' ' ALA . 24.5 pt -114.64 15.94 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.469 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.642 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.2 mtt -108.97 128.23 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -118.15 177.84 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.77 129.52 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.73 HG21 ' OE1' ' A' ' 103' ' ' GLN . 17.7 t -116.29 132.97 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.08 161.78 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.75 132.08 34.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.08 111.69 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.927 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.534 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 2.5 t80 -45.66 156.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.146 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.86 153.65 24.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.712 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -86.01 133.57 33.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -93.44 -56.96 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.3 pt-20 -171.13 142.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 128.49 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -150.63 164.25 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.06 122.09 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -128.23 129.71 46.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 46' ' ' ILE . 21.4 t -81.52 128.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.17 103.18 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.843 ' HG2' HG22 ' A' ' 19' ' ' VAL . 36.4 mtt85 -98.85 157.18 16.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 7.5 t30 -95.29 -165.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? -73.21 -29.37 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.75 11.54 22.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.373 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 73.19 32.59 1.26 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -102.31 127.58 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 13' ' ' ARG . 34.3 t -87.2 137.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 30' ' ' PHE . 6.9 tp -62.34 136.99 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -145.8 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.6 mm -96.02 149.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.81 -176.83 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.4 -20.0 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.3 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.59 19.44 39.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.662 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.581 ' HA ' HG23 ' A' ' 22' ' ' ILE . 6.8 t-20 56.37 40.7 29.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -107.22 140.47 21.49 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.1 103.2 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.51 2.14 . . . . 0.0 112.266 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 135' ' ' LYS . 6.8 mt -121.88 138.78 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.643 ' CE2' HD13 ' A' ' 20' ' ' LEU . 77.1 m-85 -83.86 126.46 32.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -133.1 146.84 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -76.74 151.18 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 mtp -101.02 78.99 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.4 p -71.08 -55.78 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 43.4 43.49 4.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -97.47 -66.95 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.45 -45.62 7.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.28 -14.21 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.27 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -47.68 -34.09 7.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 111.334 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.32 -29.17 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.216 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.41 48.56 2.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' ' HE ' ' A' ' 44' ' ' ARG . . . -153.46 136.39 9.79 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.205 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -87.39 -51.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.767 2.311 . . . . 0.0 112.712 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HE ' ' HB1' ' A' ' 42' ' ' ALA . 17.2 mmt180 58.41 78.93 0.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.1 m -127.87 140.0 52.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -86.54 171.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.2 m-85 -77.99 156.67 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.053 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.74 138.14 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.44 HD12 HG13 ' A' ' 64' ' ' ILE . 23.7 mm -110.59 135.06 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -115.27 120.87 41.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.791 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -95.48 129.41 42.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 87.7 m-85 -99.73 158.32 15.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 5' ' ' LEU . 26.3 tptt -88.69 111.77 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.51 131.66 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.42 53.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -86.24 155.27 57.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.02 -47.66 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.528 2.152 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -150.01 97.85 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.0 132.94 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 ttp -108.42 111.19 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 109.35 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.791 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.2 m -130.8 167.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.461 ' HG1' ' HE2' ' A' ' 52' ' ' TYR . 1.1 p -142.68 126.02 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.44 HG13 HD12 ' A' ' 49' ' ' ILE . 3.8 mp -91.01 136.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 134.12 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.27 142.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -115.35 132.76 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 t -179.38 -141.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.576 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -46.23 -30.09 1.86 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.163 0.506 . . . . 0.0 110.325 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 124.97 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.054 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -68.64 133.92 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.309 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -137.11 137.69 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.6 m -112.07 134.0 53.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 81' ' ' ILE . 21.7 tp -60.49 110.02 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.425 ' HB3' HG22 ' A' ' 99' ' ' ILE . 10.9 p -122.07 129.6 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.5 p -100.19 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -101.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -98.04 -67.96 0.82 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.454 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -6.75 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.209 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -107.67 165.63 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 138' ' ' LEU . 34.4 mm -111.95 142.04 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -154.21 147.0 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 16.4 m-85 -90.02 109.73 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -90.61 123.83 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.09 98.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 2.3 ptm -176.93 133.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.432 ' O ' ' HE3' ' A' ' 86' ' ' MET . 8.1 p30 -71.05 147.91 94.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 46.9 Cg_exo -55.67 124.96 17.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 38.3 Cg_exo -59.68 172.09 2.33 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.413 2.075 . . . . 0.0 112.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.27 -28.05 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -154.06 82.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 2' ' ' PHE . 48.7 mt -65.25 148.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 37.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.67 153.64 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m -83.97 -12.59 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.382 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 103.03 3.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.86 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.03 -8.82 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.497 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 75' ' ' SER . 21.8 pt -108.44 -27.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.709 0.29 . . . . 0.0 111.441 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' A' ' 97' ' ' SER . 47.8 mm -57.5 140.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.313 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -132.39 116.37 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -79.93 97.21 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.26 132.36 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 117.35 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -64.66 142.66 58.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.814 HG21 ' SD ' ' A' ' 150' ' ' MET . 36.8 t -94.29 135.05 24.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.13 -177.76 3.46 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.706 2.271 . . . . 0.0 112.544 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 118.42 -78.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -155.94 -59.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -168.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -129.8 70.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -91.26 173.97 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.19 143.58 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.041 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.539 ' OE1' HG22 ' A' ' 106' ' ' VAL . 33.4 mt-30 -114.07 128.16 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -85.99 109.64 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 2.6 tt0 -104.47 158.74 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -74.73 149.95 39.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.4 p -63.5 -43.0 98.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.4 t -56.2 -75.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.07 -171.36 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 36.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.448 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.77 -4.3 65.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.584 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.424 ' HB3' HD21 ' A' ' 138' ' ' LEU . 5.4 m-85 -150.13 140.6 22.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.757 0.313 . . . . 0.0 110.726 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 16.0 m-85 -134.63 130.84 37.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.055 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.4 mt -61.11 145.74 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 136' ' ' LEU . . . -151.71 174.84 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 132.06 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.39 119.75 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -76.96 103.25 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.0 107.01 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.638 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 60.87 -115.08 0.63 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.579 0.228 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 29' ' ' LEU . 11.5 mt -135.77 142.57 44.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 111.469 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.437 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -99.42 100.29 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.046 179.262 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -83.87 123.31 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.482 -179.395 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.643 ' HG ' HD22 ' A' ' 125' ' ' LEU . 4.7 tp -82.11 126.52 32.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.685 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -138.44 173.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.5 tp -103.22 122.54 44.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -153.81 -177.61 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.433 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -120.91 95.55 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.529 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.868 ' CD ' HD13 ' A' ' 149' ' ' ILE . 14.0 pm0 -60.06 173.16 0.66 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.87 -34.98 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -125.7 123.84 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.545 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.8 mt -66.31 -23.1 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.04 19.14 54.84 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.351 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -84.45 124.38 31.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.431 ' O ' HD21 ' A' ' 15' ' ' LEU . 16.2 ptt85 -55.83 -26.47 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.301 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.3 m -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.868 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.3 pt -100.44 19.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.816 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.814 ' SD ' HG21 ' A' ' 106' ' ' VAL . 22.0 mtt -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.8 177.54 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.55 130.47 49.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.68 130.85 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -129.46 161.86 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.43 132.14 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 103.03 15.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.801 0.334 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -92.59 168.78 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.47 159.96 27.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 116.23 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -83.84 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.621 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -177.06 138.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 p -112.22 115.91 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.597 ' HE3' ' HE1' ' A' ' 51' ' ' MET . 0.6 OUTLIER -135.2 -175.83 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 48' ' ' ILE . 18.5 mt -103.48 122.76 45.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.678 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.98 135.32 50.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 t -81.0 143.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.62 110.44 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -118.49 134.25 55.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.356 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -99.47 -165.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 147' ' ' ARG . 1.2 mm? -57.94 -26.62 62.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.15 11.6 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.475 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.26 25.73 2.63 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 111.507 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -99.2 134.11 42.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -83.67 129.8 36.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 13.2 tp -60.44 143.2 53.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 44' ' ' ARG . 6.6 m-85 -156.68 165.09 37.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HA ' ' A' ' 26' ' ' ASN . 14.9 mm -93.27 151.35 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -176.82 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -19.02 63.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -100.73 5.17 56.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' ILE . 7.3 m-80 67.6 46.68 1.31 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.222 0.535 . . . . 0.0 110.184 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.86 147.83 40.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.089 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.35 95.89 1.01 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 27' ' ' ARG . 10.7 mt -121.15 140.84 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 32.7 m-85 -83.81 141.63 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -137.92 148.61 45.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.67 136.8 43.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.0 mmm -143.51 143.49 31.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 p -71.45 -58.4 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.3 28.18 17.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -97.5 -69.47 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.87 -40.73 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -53.81 -32.47 52.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 111.011 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.24 23.45 6.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -179.69 39.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.89 0.376 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.39 143.35 97.82 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.53 -45.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.692 2.261 . . . . 0.0 112.3 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 1.7 ptm85 -111.79 113.29 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 t -83.54 153.42 24.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.177 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -64.41 -160.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.636 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 53.8 m-85 -78.28 163.06 26.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.399 . . . . 0.0 111.065 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 65' ' ' SER . 4.4 mp -96.4 114.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.57 131.05 35.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.99 104.33 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.66 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.0 mtm -81.03 128.21 33.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -102.66 134.28 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -73.32 105.88 4.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -136.41 136.19 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 m -92.63 76.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -108.04 155.11 40.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.36 -46.12 19.51 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.508 2.139 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.85 101.87 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.08 128.38 0.98 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.3 ttp -97.97 109.9 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.95 117.64 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.0 m -139.85 169.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.254 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 HD12 ' A' ' 99' ' ' ILE . 2.3 p -147.73 113.41 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.775 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 mt -84.31 127.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.1 p -143.39 139.1 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 HG13 ' A' ' 22' ' ' ILE . 11.8 p -97.28 144.44 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -135.35 137.98 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.178 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -27.5 14.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.964 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.36 123.14 2.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.295 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.49 119.87 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.334 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -133.38 146.35 51.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 m -123.76 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' A' ' 81' ' ' ILE . 7.6 tp -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 p -130.42 143.48 50.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.01 105.4 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.06 -100.0 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.98 -73.85 0.6 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.959 0.409 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.71 -6.72 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.0 mt -105.91 165.48 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.913 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.3 mm -111.39 143.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 p -154.16 151.82 29.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 22' ' ' ILE . 6.6 m-85 -95.33 120.25 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 115.5 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 98.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ptm -176.53 133.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.38 146.13 96.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.5 138.1 48.93 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.422 2.081 . . . . 0.0 112.274 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.74 170.63 19.58 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.25 -41.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -136.44 103.64 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.657 HG22 ' H ' ' A' ' 94' ' ' ASP . 40.3 mt -86.17 143.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -26.63 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.657 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.1 p30 -84.89 150.95 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -85.97 3.59 41.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.297 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.74 102.08 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.71 171.45 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -74.01 -21.33 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.805 HD12 HG21 ' A' ' 63' ' ' THR . 2.6 pt -94.88 -28.41 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 92' ' ' ILE . 38.4 mm -60.91 133.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CE2' HD23 ' A' ' 74' ' ' LEU . 63.8 m-85 -129.52 143.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 18.0 m-85 -108.73 103.07 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -85.83 137.81 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -142.11 120.85 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.38 159.66 6.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 150' ' ' MET . 38.4 t -107.83 134.02 20.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.69 157.9 18.83 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.625 2.217 . . . . 0.0 112.41 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.83 45.75 91.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -162.37 -178.07 6.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.37 -75.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -160.08 71.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -103.89 165.52 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.2 154.45 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.025 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -123.89 132.17 53.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.496 ' HB3' HD12 ' A' ' 125' ' ' LEU . 11.7 m-85 -90.74 115.62 27.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -108.19 158.28 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 153.51 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 83.0 p -65.18 -40.86 94.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.008 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -56.44 -67.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.68 -171.57 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.49 37.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.347 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.67 66.63 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -150.18 138.54 20.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.45 138.06 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.6 mt -69.3 114.99 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.45 -178.41 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.9 p -122.22 124.25 43.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.52 ' HG3' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -98.97 127.43 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.91 101.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.83 110.29 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 60.71 -115.81 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -109.65 17.51 21.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.556 0.217 . . . . 0.0 111.28 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 29' ' ' LEU . 11.6 mt -132.05 141.48 49.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.082 0.468 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.44 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 m-85 -99.19 100.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.819 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.466 ' HG3' HD22 ' A' ' 29' ' ' LEU . 2.3 mttt -81.82 156.38 24.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.35 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HG ' HD22 ' A' ' 125' ' ' LEU . 13.1 tp -99.47 124.82 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.801 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.6 pt -129.38 -179.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.37 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.913 ' HB2' HD11 ' A' ' 81' ' ' ILE . 6.4 tp -129.81 112.55 13.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -154.73 176.15 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.68 99.57 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.854 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.5 pm0 -60.28 175.22 0.45 Allowed 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.91 -38.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.81 126.1 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.7 mt -65.51 -24.76 67.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.94 26.45 22.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.4 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.66 129.35 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.821 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.72 -29.7 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 p -53.91 -32.03 52.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.854 HD13 ' CD ' ' A' ' 141' ' ' GLU . 6.3 pt -106.81 24.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.439 ' SD ' HG11 ' A' ' 106' ' ' VAL . 17.5 mtt -117.61 137.44 52.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -131.6 164.65 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 138.81 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.774 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.93 140.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 161.73 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -90.42 132.78 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.02 90.02 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.944 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -149.3 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.55 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.82 174.42 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.935 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -94.68 132.67 39.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -92.57 -56.52 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.1 pt-20 -172.12 136.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.65 120.63 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -147.59 169.62 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 47' ' ' PHE . 10.1 mt -89.98 138.86 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.711 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -141.67 141.03 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.32 123.23 39.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 19' ' ' VAL . 40.6 mt -110.39 114.26 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 3.3 mtt180 -113.01 159.04 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' CZ ' ' A' ' 30' ' ' PHE . 2.5 t30 -99.16 -163.94 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.0 mm? -75.45 -29.02 59.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -89.96 11.62 19.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.36 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 72.37 25.45 2.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -101.63 123.8 46.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.8 p -80.08 150.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.301 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 15.1 tp -74.13 138.0 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.21 155.62 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.658 HG23 ' HA ' ' A' ' 26' ' ' ASN . 10.3 mm -92.33 144.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -107.13 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.25 -24.16 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.72 33.42 6.07 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.401 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.658 ' HA ' HG23 ' A' ' 22' ' ' ILE . 5.3 p-10 45.48 44.33 9.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 111.364 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -103.51 134.21 19.88 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.29 95.02 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.421 2.081 . . . . 0.0 112.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 135' ' ' LYS . 5.3 mt -111.44 152.87 26.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 52.0 m-85 -103.66 133.18 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.38 172.91 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.73 167.37 19.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.44 ' CG ' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -131.06 114.36 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 p -133.81 -91.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 40.75 47.48 2.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 111.451 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -59.35 -39.05 81.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.219 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -95.53 -28.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.313 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 t -84.38 -18.14 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.48 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -40.1 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.42 -25.11 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -129.18 56.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -131.77 132.75 23.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.333 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 98.1 Cg_endo -90.7 -49.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.992 2.461 . . . . 0.0 113.01 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.56 163.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.917 0.389 . . . . 0.0 111.539 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -177.62 173.27 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -58.95 163.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.855 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.6 166.23 23.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.047 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.3 mp -84.05 148.22 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.377 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 48' ' ' ILE . 12.7 mm -121.14 112.82 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.68 107.11 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.819 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.2 mtm -82.62 127.64 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 11.1 m-85 -101.91 157.78 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -84.03 115.37 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 5.1 p-10 -142.93 134.72 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -95.9 42.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -71.3 155.61 92.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.802 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.38 -56.72 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.5 2.133 . . . . 0.0 112.299 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -143.39 83.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.534 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . -179.73 142.0 4.97 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm -111.39 118.32 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.667 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -80.83 125.7 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.267 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.819 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.0 m -144.26 169.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 100' ' ' ILE . 81.9 p -144.63 115.47 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.19 135.13 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 139.26 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.183 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.4 136.0 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 0.0 111.443 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -179.51 -85.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.891 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -93.5 -24.07 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.188 0.518 . . . . 0.0 109.667 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -157.93 127.72 6.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.848 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.37 117.81 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 111.312 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -128.57 143.76 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -126.5 135.81 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 81' ' ' ILE . 41.0 tp -65.02 124.49 22.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -134.06 139.86 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -114.39 102.54 10.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.81 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -98.07 -72.74 0.64 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.895 0.379 . . . . 0.0 110.478 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -122.48 -6.69 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.999 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -106.89 165.65 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.066 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 138' ' ' LEU . 40.7 mm -111.92 145.36 18.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -158.0 141.13 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -87.93 113.77 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.96 123.74 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.17 97.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE2' HD13 ' A' ' 99' ' ' ILE . 1.6 ptm 179.93 138.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -71.79 149.19 92.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.83 135.47 41.48 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.67 161.56 30.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.415 2.077 . . . . 0.0 112.408 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.17 -31.18 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -146.15 125.82 13.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mt -106.22 147.26 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 29.64 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -140.74 156.28 46.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -7.35 56.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.35 104.22 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.413 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 169.61 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -76.9 -24.37 52.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.7 pt -92.65 -30.8 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.275 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.539 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.5 mm -59.38 134.1 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.276 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 125' ' ' LEU . 30.4 m-85 -122.52 151.91 40.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.8 m-85 -111.02 92.08 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.39 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.736 ' OE1' HG21 ' A' ' 153' ' ' VAL . 8.1 tt0 -93.33 115.99 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.331 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.534 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpt180 -126.22 146.6 49.92 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.17 155.92 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.801 HG21 ' SD ' ' A' ' 150' ' ' MET . 47.2 t -108.27 134.06 20.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.84 139.69 12.41 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.701 2.267 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 109' ' ' HIS . . . 84.26 37.78 10.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 61.0 m80 -157.78 -173.92 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.713 0.292 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.16 -74.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -160.04 45.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -78.47 162.56 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.438 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 8.2 mmt -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.92 129.04 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 125' ' ' LEU . 7.4 m-85 -90.06 118.89 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 9.4 tt0 -119.44 158.78 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -62.72 147.56 49.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 86.4 p -58.35 -43.78 88.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 t -58.58 -76.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.02 -167.42 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.5 -174.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.15 -33.76 5.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -135.09 121.12 19.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 10.9 m-85 -119.69 137.33 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.9 mt -68.87 119.66 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -124.56 172.7 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 19.4 p -105.82 126.42 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.401 ' HB2' HG12 ' A' ' 137' ' ' ILE . 2.7 tt0 -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.01 96.33 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.823 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -105.62 99.18 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 61.78 -110.64 0.4 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.68 17.4 21.33 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.504 0.193 . . . . 0.0 111.378 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.13 142.53 44.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.002 0.429 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.465 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 36.3 m-85 -96.88 101.57 13.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.096 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.401 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -90.94 128.83 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.89 146.79 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.842 ' O ' HD23 ' A' ' 125' ' ' LEU . 2.0 pt -155.43 -179.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.773 ' HB2' HD11 ' A' ' 81' ' ' ILE . 7.5 tp -126.34 114.98 18.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -151.97 -176.95 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.48 99.2 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.691 ' HG3' HG23 ' A' ' 149' ' ' ILE . 36.6 mm-40 -62.66 178.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.88 -28.63 39.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.48 125.27 36.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.38 -26.17 68.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.3 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.17 123.45 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -27.28 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.7 m -54.6 -30.19 53.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.817 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.743 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.6 pt -105.66 16.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.801 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtt -111.42 153.18 26.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 5.6 m-85 -138.93 177.83 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.3 140.31 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.736 HG21 ' OE1' ' A' ' 103' ' ' GLN . 10.5 t -124.32 139.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -136.44 161.81 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.748 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -87.29 133.04 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 121.004 0.43 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.551 ' HD2' HD12 ' A' ' 92' ' ' ILE . 1.5 t80 -44.78 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.867 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.7 -179.19 29.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.996 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 50' ' ' SER . 0.0 OUTLIER -100.12 133.07 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.036 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.38 -52.18 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 142.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 132.3 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -152.18 176.68 11.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -96.9 130.37 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -134.17 135.33 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.509 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.41 126.06 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -106.2 117.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.757 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 29.1 p-10 -91.88 -171.41 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 150' ' ' MET . 3.3 mm? -68.26 -20.31 64.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.95 11.46 18.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.497 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 63.75 28.32 14.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.379 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -109.61 144.73 37.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.28 149.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.925 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.1 tp -77.61 144.94 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 29' ' ' LEU . 6.1 p90 -156.53 152.19 27.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.91 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 11.1 mm -89.08 143.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.01 -179.28 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.69 -20.5 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.07 21.32 31.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.647 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.7 m-20 57.25 50.11 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -115.96 139.5 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' O ' HD23 ' A' ' 29' ' ' LEU . 86.9 Cg_endo -78.16 108.59 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.2 mt -123.67 155.82 37.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.925 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 57.0 m-85 -114.62 123.78 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -149.21 172.09 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -72.34 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 mtm -106.58 136.94 45.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -110.63 -75.91 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.08 38.41 26.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.31 -62.17 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.42 -43.04 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.81 -14.71 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -51.14 -39.61 56.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.17 -29.64 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.066 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -113.16 40.47 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -127.31 129.6 23.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.063 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 55.8 Cg_endo -91.54 -63.24 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.803 2.336 . . . . 0.0 112.708 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -107.56 170.8 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.958 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.49 -89.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.792 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.506 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -99.51 -174.12 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.548 0.213 . . . . 0.0 110.827 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.4 m-85 -78.22 165.29 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.998 0.428 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.9 mp -95.66 129.75 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.6 mm -100.72 117.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 1.3 m -103.37 121.25 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.824 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.3 mtm -96.33 133.63 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 92' ' ' ILE . 4.8 m-85 -103.88 151.78 22.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -85.42 123.16 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -111.56 156.89 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 p -68.82 -64.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -97.38 145.24 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.5 79.44 2.5 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.25 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.87 87.43 2.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.67 140.25 8.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 ttp -85.64 109.31 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.18 99.7 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.824 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.5 m -129.15 167.45 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 100' ' ' ILE . 55.7 p -146.41 128.5 15.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.92 122.92 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.684 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 p -127.66 132.75 49.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 111.274 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 66' ' ' VAL . 12.4 p -101.62 124.14 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HG2' HG23 ' A' ' 71' ' ' ILE . 31.1 mtpt -116.49 138.53 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 111.346 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.14 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.217 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' C ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -90.82 -35.39 14.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -148.45 126.14 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.132 179.388 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.795 HG21 ' OD1' ' A' ' 87' ' ' ASN . 18.8 mt -64.08 116.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.0 t -127.74 156.88 41.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 m -130.91 143.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.75 109.33 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 135.08 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.147 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.6 p -102.67 101.7 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -157.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -41.58 -30.06 0.2 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 81' ' ' ILE . 15.1 mt -74.89 159.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.2 mm -103.41 127.49 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.0 m -145.56 149.32 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.057 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 13.7 m-85 -92.19 117.48 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.713 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.67 134.17 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.61 106.34 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.9 ptm -178.15 118.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.795 ' OD1' HG21 ' A' ' 71' ' ' ILE . 6.8 t30 -63.07 149.52 90.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.59 128.59 30.05 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.518 2.145 . . . . 0.0 112.184 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.99 158.19 53.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.394 2.063 . . . . 0.0 112.284 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -93.13 -33.39 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -143.96 93.84 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 94' ' ' ASP . 25.3 mt -75.27 123.88 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -56.6 -26.98 57.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -108.59 158.08 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.1 m -82.62 -19.16 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 101.79 5.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 163.28 13.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.789 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -64.84 -21.78 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 pt -93.65 -30.09 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 92' ' ' ILE . 40.7 mm -58.69 142.3 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 125' ' ' LEU . 32.2 m-85 -131.1 148.6 52.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.2 m-85 -107.11 99.57 9.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.55 ' NE2' ' CZ ' ' A' ' 115' ' ' PHE . 14.0 tt0 -92.38 129.76 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.243 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.23 149.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.661 HG21 ' SD ' ' A' ' 150' ' ' MET . 38.7 t -98.71 131.87 24.96 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.24 -173.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.395 2.063 . . . . 0.0 112.25 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.0 -132.82 11.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -121.4 -43.55 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.32 -178.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -125.21 70.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 152' ' ' THR . 14.4 mmmm -101.01 164.92 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.0 mmt -126.74 151.8 47.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -117.65 122.65 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CZ ' ' NE2' ' A' ' 103' ' ' GLN . 9.7 m-85 -95.48 113.48 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.2 tt0 -115.63 158.86 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.947 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 1.1 p -57.32 -28.4 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -160.63 91.08 0.89 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.516 0.198 . . . . 0.0 111.071 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 120' ' ' TYR . 8.8 pt-20 44.75 -173.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.248 0.547 . . . . 0.0 111.692 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.46 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.521 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -133.81 120.11 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 8.0 m-85 -107.5 155.89 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -79.85 110.57 15.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.15 175.1 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.78 117.72 31.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' A' ' 137' ' ' ILE . 5.6 tt0 -92.3 127.46 37.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -84.11 94.23 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.25 104.7 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.809 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 61.49 -112.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.575 0.226 . . . . 0.0 111.225 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.42 142.91 47.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 111.303 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -98.86 100.39 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.259 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.455 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.1 mttt -88.07 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.568 HD11 HD22 ' A' ' 125' ' ' LEU . 23.0 tp -68.8 145.08 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.807 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.1 pt -151.24 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.878 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.4 tp -133.57 115.44 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -156.72 173.67 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.56 95.76 8.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.85 ' CD ' HD13 ' A' ' 149' ' ' ILE . 5.2 pm0 -60.48 172.87 0.79 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.02 -37.11 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.92 124.31 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.686 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 140' ' ' LYS . 20.2 mt -68.86 -23.41 64.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.237 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.92 21.05 45.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.42 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 127.75 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.975 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -27.87 61.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -29.2 38.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.85 HD13 ' CD ' ' A' ' 141' ' ' GLU . 3.1 pt -108.04 22.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.238 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.661 ' SD ' HG21 ' A' ' 106' ' ' VAL . 25.7 mtt -113.38 148.22 36.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.86 161.85 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.407 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -118.64 126.18 51.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -117.63 133.6 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -123.72 161.63 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.75 131.46 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.29 86.37 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.908 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.412 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 1.4 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.827 0.346 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.37 152.88 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.45 145.65 13.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -77.52 125.27 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.4 tt -84.21 -55.73 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.6 pt-20 -175.96 143.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -111.01 114.5 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HZ1' ' HA ' ' A' ' 155' ' ' ASN . 1.3 pttp -134.93 -175.85 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.58 127.0 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.663 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.2 134.29 47.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.439 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.1 134.49 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.132 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -119.14 114.45 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.169 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -112.51 160.87 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 9.7 t30 -106.68 -170.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.6 mm? -66.4 -29.05 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.62 11.57 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 68.4 30.46 5.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -104.89 141.16 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.2 t -84.46 140.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 30' ' ' PHE . 15.8 tp -66.53 136.45 55.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.59 156.17 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.5 mm -100.46 153.5 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.96 -178.76 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.08 -20.37 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.37 19.95 38.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.719 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 4.0 m-80 58.56 30.78 20.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -93.38 132.35 30.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.13 94.93 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.551 2.167 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 133' ' ' LEU . 3.4 mt -113.47 136.84 52.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 20' ' ' LEU . 61.2 m-85 -83.9 145.19 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.024 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -148.62 167.24 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.82 155.11 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.6 mtp -139.45 105.58 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 p -92.23 168.44 11.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.12 35.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.2 m -97.06 -57.54 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.78 -31.54 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 3.0 t -78.44 -10.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.682 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -25.64 9.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 111.359 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.8 86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 61.54 47.39 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 38' ' ' CYS . . . -76.97 139.99 66.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -86.62 -55.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.62 2.213 . . . . 0.0 112.777 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.81 93.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -138.19 103.05 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.249 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.663 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -74.88 -168.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.372 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' HG23 ' A' ' 46' ' ' ILE . 20.1 m-85 -78.24 157.29 29.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.592 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.8 mp -86.76 137.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG13 ' A' ' 64' ' ' ILE . 23.0 mm -114.17 124.52 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.075 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.37 107.48 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.687 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.07 129.37 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -98.59 147.89 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 5' ' ' LEU . 8.8 tptt -82.78 123.29 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.31 150.02 40.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -94.55 45.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -96.16 145.03 28.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.78 -45.36 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.568 2.179 . . . . 0.0 112.365 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -136.58 90.3 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.8 123.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -103.79 103.91 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 116.01 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.687 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.6 m -132.66 170.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.61 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.556 ' CG2' HD13 ' A' ' 100' ' ' ILE . 59.4 p -146.34 104.36 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.644 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.596 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -77.8 136.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.024 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.25 142.86 22.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.8 p -98.33 138.81 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.64 133.75 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.51 . . . . 0.0 111.31 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.65 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.11 -28.46 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.164 0.507 . . . . 0.0 109.89 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -158.68 126.22 5.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.128 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.1 118.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 0.0 111.387 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -131.82 152.25 51.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 64' ' ' ILE . 21.1 m -127.08 141.73 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.57 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.8 tp -68.06 100.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.86 127.32 43.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.481 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 p -102.81 101.35 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -44.32 -69.1 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.434 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -131.07 -6.65 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.787 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 81' ' ' ILE . 4.8 mt -102.98 163.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.973 0.416 . . . . 0.0 111.308 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.7 mm -120.62 139.71 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -159.01 144.57 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.941 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.0 m-85 -81.7 109.1 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -91.28 120.89 32.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.93 97.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE1' HD13 ' A' ' 99' ' ' ILE . 1.2 ptm -171.11 141.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.93 142.79 52.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.599 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.25 127.77 23.19 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.478 2.119 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.15 161.17 43.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.067 . . . . 0.0 112.248 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -39.86 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -140.85 111.51 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.44 HG21 ' OG ' ' A' ' 97' ' ' SER . 21.5 mt -88.68 136.3 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.4 OUTLIER -68.04 -41.95 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.07 155.52 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 -22.82 42.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 100.12 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.44 ' OG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -92.85 160.98 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.43 -19.88 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE1' ' A' ' 86' ' ' MET . 27.0 pt -95.58 -13.88 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.463 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' CG2' ' A' ' 63' ' ' THR . 38.6 mm -81.64 137.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -131.41 141.71 49.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -95.85 102.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' NE2' HG21 ' A' ' 153' ' ' VAL . 13.7 tt0 -87.16 131.25 34.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.94 117.23 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 p -57.5 161.63 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.714 HG21 ' SD ' ' A' ' 150' ' ' MET . 43.8 t -109.88 137.05 20.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 106' ' ' VAL . 73.4 Cg_endo -78.88 175.58 10.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.782 2.321 . . . . 0.0 112.75 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.58 ' O ' ' HB2' ' A' ' 109' ' ' HIS . . . 104.95 12.58 27.41 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.66 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 3.3 m-70 83.07 3.2 1.0 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 122.884 0.474 . . . . 0.0 110.207 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -174.81 4.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.936 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -138.12 28.57 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -85.21 166.39 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.7 mmt -137.14 158.01 45.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.05 133.78 51.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 44.5 m-85 -102.61 110.91 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 16.3 tt0 -102.95 157.64 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.07 136.06 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.5 p -56.48 -38.63 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.24 -66.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -157.41 -168.04 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 25.47 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.45 -21.29 72.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -149.94 163.62 37.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.774 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 37.5 m-85 -141.34 143.21 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 136' ' ' LEU . 1.8 mt -67.06 123.0 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.527 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -135.0 162.83 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.43 134.23 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -113.38 129.89 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.447 ' CG ' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -78.44 116.56 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.411 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 5.0 mt-10 -117.8 87.74 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.173 0.511 . . . . 0.0 111.522 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 63.78 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.721 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.29 -9.06 14.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 29' ' ' LEU . 10.2 mt -119.57 138.81 52.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.968 0.413 . . . . 0.0 112.019 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.447 ' CE2' ' CG ' ' A' ' 129' ' ' LYS . 7.6 m-85 -98.25 100.29 11.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.652 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -83.72 170.77 13.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.969 0.414 . . . . 0.0 111.435 -178.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 125' ' ' LEU . 3.5 tp -128.72 133.75 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.838 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.422 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -144.91 178.18 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.098 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 81' ' ' ILE . 10.8 tp -107.38 112.52 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -146.36 176.76 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 111.177 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.431 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -116.34 94.79 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.655 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.862 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.6 pm0 -60.47 178.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -33.46 21.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.91 123.62 40.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.468 ' O ' HD11 ' A' ' 149' ' ' ILE . 9.0 mt -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.78 23.41 34.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.235 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.55 126.84 36.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -29.22 57.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -53.86 -27.41 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.862 HD13 ' CD ' ' A' ' 141' ' ' GLU . 8.7 pt -110.3 22.2 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.714 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtm -120.91 133.71 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.95 177.83 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 136.38 54.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.496 HG21 ' NE2' ' A' ' 103' ' ' GLN . 13.4 t -132.04 127.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.37 161.83 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.458 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.5 m-20 -84.14 130.27 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 95.52 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.968 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.891 0.377 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -65.69 155.77 35.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.27 159.54 22.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -85.67 108.56 18.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.611 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -68.93 -59.0 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.4 pt-20 -176.5 124.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 114.59 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HG2' ' HE3' ' A' ' 51' ' ' MET . 3.0 pttm -147.0 -175.85 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.79 131.57 49.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.568 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -132.14 136.8 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.542 179.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.26 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.118 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -107.76 116.77 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -117.16 155.1 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.98 -176.51 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.34 12.24 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.29 21.6 6.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.984 0.421 . . . . 0.0 111.536 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.89 -169.99 2.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.31 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.43 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.905 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 17.1 tp -66.52 132.66 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.88 158.79 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE1' ' A' ' 83' ' ' PHE . 8.0 mm -105.47 149.83 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.92 -179.19 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.44 -23.04 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.33 28.49 15.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.588 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.2 p-10 45.37 30.59 0.72 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 111.519 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -90.83 136.3 27.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.77 96.8 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.492 2.128 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.4 mt -114.64 148.19 38.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 24.5 m-85 -103.14 128.59 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -153.92 156.15 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.51 167.32 15.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.81 107.85 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -119.55 -81.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 43.03 52.34 5.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.909 0.385 . . . . 0.0 111.368 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 1.8 m -50.72 -58.3 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.432 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.02 -19.43 52.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.659 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.33 -19.01 23.41 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' A' ' 36' ' ' SER . 94.6 mtt180 -47.73 -50.79 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.389 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.78 -25.63 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.289 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.23 54.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.74 142.42 15.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.296 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.98 -44.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.747 2.298 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.13 96.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -150.63 117.86 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -65.24 -173.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 66' ' ' VAL . 8.4 m-85 -78.05 152.75 32.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.855 HD13 ' HE2' ' A' ' 67' ' ' LYS . 4.7 mp -75.15 135.03 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 64' ' ' ILE . 26.2 mm -114.92 119.82 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -102.12 113.68 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.821 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.4 mtm -87.98 122.78 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 51.3 m-85 -98.05 136.93 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 5' ' ' LEU . 27.6 tptt -75.98 121.07 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -106.7 152.67 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -51.67 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -86.0 145.04 40.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.79 42.54 0.89 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.8 2.333 . . . . 0.0 112.65 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 mmt-85 -115.1 79.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.492 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 102.14 142.23 12.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.735 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.5 ttp -93.56 120.64 34.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 119.46 22.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.821 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.7 m -139.84 170.55 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.36 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.9 p -148.98 119.21 7.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 49' ' ' ILE . 3.1 mt -87.67 129.29 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -139.58 126.79 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.06 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.558 HG23 ' CD1' ' A' ' 47' ' ' PHE . 11.2 p -89.35 140.44 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.855 ' HE2' HD13 ' A' ' 48' ' ' ILE . 11.9 mttm -134.38 138.49 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.465 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t 178.48 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.097 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -96.79 -27.81 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -163.81 126.77 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.12 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.636 HD13 ' NZ ' ' A' ' 67' ' ' LYS . 19.7 mt -61.96 125.03 17.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -137.95 127.92 25.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.781 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -105.6 140.11 39.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.678 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.1 tp -68.6 113.36 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.22 127.88 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.75 101.44 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -64.59 -155.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -42.0 -30.97 0.3 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.611 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 -32.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.462 HD12 ' OE2' ' A' ' 77' ' ' GLU . 7.8 mt -79.17 145.16 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.891 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.5 mm -95.87 138.8 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 71.1 m -156.34 139.09 15.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 22' ' ' ILE . 31.5 m-85 -81.36 105.77 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -85.56 123.01 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.29 98.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -173.84 133.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.38 132.83 94.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 135.06 59.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.395 2.063 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.07 176.61 9.91 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.96 -37.27 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -134.87 97.13 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.4 mt -81.91 122.28 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -17.86 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 92' ' ' ILE . 70.8 m-20 -99.41 158.14 15.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.781 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -3.73 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.431 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.74 99.71 1.87 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.861 0.363 . . . . 0.0 111.335 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -93.31 151.6 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.01 -25.66 58.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.943 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 pt -87.33 -30.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.7 mm -61.25 129.09 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -123.93 150.18 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.27 97.19 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.898 ' NE2' HG21 ' A' ' 153' ' ' VAL . 13.3 tt0 -96.01 112.62 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.1 tpt85 -128.09 148.12 50.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 111.146 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.409 ' CB ' ' HE1' ' A' ' 113' ' ' MET . 0.2 OUTLIER -63.28 155.89 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 179.648 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.3 t -109.11 136.32 20.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.19 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.39 139.23 10.23 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 87.05 39.55 7.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -162.17 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.787 0.327 . . . . 0.0 110.754 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.24 -74.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.02 58.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -90.0 161.67 15.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.409 ' HE1' ' CB ' ' A' ' 105' ' ' SER . 14.0 mmt -127.01 164.98 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.976 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 4.2 tt0 -136.05 128.17 29.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 9.0 m-85 -92.4 115.31 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 21.6 tt0 -112.35 157.03 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.36 145.32 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.0 p -64.43 -43.19 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -68.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -158.09 -178.01 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -175.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.4 -25.63 26.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.408 ' HB3' HD21 ' A' ' 138' ' ' LEU . 16.4 m-85 -131.33 115.32 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 114' ' ' GLN . 23.2 m-85 -118.88 142.58 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.6 mt -68.29 117.51 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.667 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -125.89 176.84 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.275 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.4 p -111.07 131.15 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.68 135.64 50.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 98.86 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.77 103.23 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 61.45 -114.01 0.54 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -109.59 17.47 21.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.651 0.262 . . . . 0.0 111.035 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -129.01 143.58 50.91 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.063 0.459 . . . . 0.0 111.56 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.97 100.26 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.847 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.569 ' HG3' HD22 ' A' ' 29' ' ' LEU . 5.6 mttt -89.08 168.89 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.354 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.472 ' CG ' HD22 ' A' ' 125' ' ' LEU . 2.1 tp -121.66 126.23 48.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.739 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.518 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.08 -179.98 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.891 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.0 tp -109.28 110.77 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 110.605 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -150.01 179.08 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 103.88 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.668 ' HG3' HG23 ' A' ' 149' ' ' ILE . 4.5 mm-40 -60.43 175.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -29.25 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -124.91 123.95 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.63 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.37 -26.23 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.46 26.78 18.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.313 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -86.63 120.64 28.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.721 0.296 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.6 -24.66 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -30.96 61.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.924 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.668 HG23 ' HG3' ' A' ' 141' ' ' GLU . 13.7 pt -101.6 13.01 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.1 mtt -106.62 141.71 37.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.48 159.54 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.79 124.83 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.64 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.898 HG21 ' NE2' ' A' ' 103' ' ' GLN . 6.9 t -118.18 129.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 161.83 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -80.53 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.56 109.91 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.817 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.767 0.317 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 2.9 t80 -122.2 151.14 41.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.96 171.46 36.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.892 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -84.57 138.26 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.1 tt -98.5 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.3 pt-20 -167.45 142.49 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.68 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.86 -178.8 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 mt -109.32 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.013 0.435 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -128.07 138.97 52.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.471 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.99 123.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 46' ' ' ILE . 77.4 mt -102.47 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -105.36 153.48 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.777 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 7.9 t30 -103.51 -168.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -71.16 -27.42 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.5 11.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.342 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 68.9 31.33 4.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -105.83 143.24 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.81 138.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 11.4 tp -57.9 146.45 32.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -151.99 160.68 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 83' ' ' PHE . 8.7 mm -105.04 154.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.25 177.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -22.91 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.212 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.67 27.66 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 45.5 44.59 9.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.373 . . . . 0.0 111.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -107.19 137.96 19.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.1 Cg_endo -75.1 94.93 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.423 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.618 HD22 ' HG3' ' A' ' 135' ' ' LYS . 0.9 OUTLIER -110.97 140.79 45.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 21.0 m-85 -89.53 123.58 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.46 151.77 51.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.56 137.87 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmm -117.84 101.85 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.8 p -113.47 -77.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 56.38 40.06 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -55.12 -44.26 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.59 -28.36 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.67 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.458 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -51.78 -33.74 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.857 0.36 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.05 -29.92 71.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -133.64 38.16 3.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.94 135.77 21.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.91 -56.84 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.484 2.123 . . . . 0.0 112.201 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 60.61 78.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.785 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.6 m -155.84 94.95 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.635 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -63.87 -167.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 46' ' ' ILE . 21.7 m-85 -78.31 161.46 27.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.828 0.347 . . . . 0.0 110.967 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.9 mp -91.37 132.97 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mm -105.99 114.29 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.83 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.839 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -89.87 129.61 36.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 92' ' ' ILE . 20.8 m-85 -100.25 154.05 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 111.04 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 5' ' ' LEU . 4.5 tptt -88.61 117.8 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.65 149.37 29.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -96.25 42.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 154.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.75 -57.15 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.595 2.197 . . . . 0.0 112.547 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -155.28 100.05 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.96 111.42 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.15 105.94 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.88 98.87 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.839 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.3 m -123.34 170.61 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.579 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.1 p -138.92 121.48 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.747 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.608 HD11 ' CE2' ' A' ' 115' ' ' PHE . 3.3 mt -86.99 121.1 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.849 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 p -132.22 138.53 47.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' SER . 11.6 p -104.34 131.51 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -126.62 136.96 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.286 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.87 -80.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -96.64 -26.98 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.066 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 123.07 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.03 122.1 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -138.6 124.56 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.7 m -100.79 141.9 33.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' A' ' 81' ' ' ILE . 40.0 tp -73.27 104.98 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 130.27 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 p -99.93 101.42 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -66.95 -152.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.425 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.77 -72.12 0.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.665 0.269 . . . . 0.0 111.425 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -6.67 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.7 mt -103.03 159.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.409 . . . . 0.0 111.364 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 74' ' ' LEU . 33.1 mm -112.92 135.38 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.74 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m -155.31 147.49 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -87.72 114.44 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.51 124.03 38.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.05 99.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.6 ptm -177.82 137.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -76.72 155.08 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.49 130.78 31.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.483 2.122 . . . . 0.0 112.052 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.22 161.87 20.19 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.524 2.149 . . . . 0.0 112.674 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -88.71 -40.42 13.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.442 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -124.75 129.27 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 50.2 mt -115.04 -10.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER 43.29 29.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 111.4 -179.795 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.63 137.07 16.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.6 p -80.61 4.01 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 99.82 1.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.986 0.422 . . . . 0.0 111.564 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.427 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.32 173.82 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.637 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.91 -1.07 46.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.418 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 pt -115.71 -27.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.722 0.296 . . . . 0.0 111.423 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.1 mm -57.26 142.64 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.527 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 4.8 m-85 -133.59 126.47 31.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.671 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 118' ' ' SER . 1.9 m-85 -85.81 95.61 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.334 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.405 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 8.0 tt0 -95.53 121.97 37.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 143.38 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.561 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -59.8 144.76 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.462 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 150' ' ' MET . 18.7 t -89.9 137.26 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.778 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 71.7 Cg_endo -81.65 98.79 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.667 2.245 . . . . 0.0 112.453 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 109' ' ' HIS . . . -159.66 -68.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.471 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 2.6 m-70 -170.03 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -70.57 -178.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -104.59 46.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HD2' HG23 ' A' ' 152' ' ' THR . 30.0 mmmt -81.02 157.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.8 mmt -129.32 156.65 43.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -125.97 139.44 53.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.0 m-85 -99.53 123.01 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 tt0 -118.69 158.68 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.61 131.61 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.454 ' HA ' ' CD2' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -55.68 -35.23 65.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 62.9 m -59.96 -71.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 119' ' ' SER . 57.6 m-85 -159.92 -179.18 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.74 -173.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.57 -28.31 16.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -129.36 126.74 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 19.2 m-85 -127.77 137.74 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.1 mt -67.98 115.0 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.0 176.09 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.62 129.22 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.58 127.96 55.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.04 95.29 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.6 105.75 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 59.42 -111.72 0.55 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.756 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.61 17.64 21.12 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.666 0.27 . . . . 0.0 111.26 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' LEU . 5.9 mt -138.57 137.15 36.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.67 100.18 13.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.618 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.6 mttt -89.61 130.8 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.403 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 125' ' ' LEU . 1.9 tp -84.37 126.41 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.586 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.44 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -132.83 175.56 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 111.108 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 81' ' ' ILE . 15.3 tp -104.07 111.01 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.473 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -145.06 171.64 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 96.51 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.859 ' CD ' HD13 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -62.85 170.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -79.9 -48.88 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.462 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -106.49 123.6 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 144' ' ' LEU . 1.2 mt -68.16 -24.34 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.08 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.26 25.09 27.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.29 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.4 132.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -29.09 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.01 -27.24 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.859 HD13 ' CD ' ' A' ' 141' ' ' GLU . 5.4 pt -113.7 21.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 106' ' ' VAL . 10.4 mtt -116.83 125.68 51.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 3.9 m-85 -113.95 164.66 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -116.31 130.64 56.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.3 t -123.7 125.49 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.03 161.91 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.719 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -84.96 129.79 34.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.4 129.43 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.513 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.77 0.319 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -113.06 161.43 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.41 147.35 18.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -88.19 116.28 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -74.85 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.4 pt-20 -177.46 145.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 t -107.27 134.37 50.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -148.87 166.04 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -88.29 140.79 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.656 ' O ' HG21 ' A' ' 46' ' ' ILE . 2.0 p -139.77 142.76 36.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.62 103.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.5 mt -88.51 107.66 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -116.31 169.19 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.45 -164.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.8 mm? -74.14 -28.51 61.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.87 11.53 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.427 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.38 39.71 2.17 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -110.04 129.9 55.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.91 147.43 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -75.81 151.99 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -156.78 163.17 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.617 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.3 mm -97.0 153.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.16 179.28 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.27 -19.11 61.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.19 16.38 49.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.855 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 57.91 44.6 19.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.11 141.51 26.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' C ' HD23 ' A' ' 29' ' ' LEU . 74.4 Cg_endo -75.29 97.77 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.2 mt -116.0 134.87 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 96.4 m-85 -84.34 161.44 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.1 149.43 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -88.14 122.83 32.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.91 164.33 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 p -97.75 -65.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.69 41.16 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.55 -56.79 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.59 -29.25 14.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.57 -11.85 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.41 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -35.79 60.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -64.35 87.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.73 49.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.99 158.22 1.23 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.11 -62.9 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.758 2.306 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -114.79 -176.92 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.9 173.83 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.242 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.746 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.7 tt -82.73 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 46' ' ' ILE . 76.3 m-85 -77.9 159.49 28.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.703 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -101.02 125.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.7 mm -98.46 129.33 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.29 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -111.12 107.3 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.8 mtm -80.98 125.93 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -94.37 146.48 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 5' ' ' LEU . 3.2 tptm -91.67 108.42 19.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -151.5 152.54 33.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 81.18 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.84 154.33 38.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.66 -55.95 1.48 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.236 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -159.67 79.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.64 113.0 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.1 ttp -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.98 101.63 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' MET . 27.4 m -129.05 170.41 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.307 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 100' ' ' ILE . 80.5 p -142.81 129.07 19.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HE2' ' A' ' 115' ' ' PHE . 2.9 mp -96.43 123.71 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 141.31 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.29 143.62 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -136.57 141.34 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.036 0.446 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -82.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.206 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -95.49 -27.11 15.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 109.996 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 122.72 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.165 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.81 132.17 32.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 t -145.8 153.64 41.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -129.49 139.59 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD11 ' CG2' ' A' ' 81' ' ' ILE . 20.5 tp -70.34 115.36 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -123.08 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 21.9 p -109.2 101.97 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.64 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -97.88 -72.13 0.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -6.58 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.6 mt -107.47 166.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.2 mm -113.54 143.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -156.72 142.19 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -83.02 113.39 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -95.1 127.93 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.31 98.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.5 ptm -173.11 131.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -71.91 145.66 89.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.23 127.34 24.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.161 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 72.5 Cg_endo -76.63 161.05 34.36 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.433 2.088 . . . . 0.0 112.404 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.87 -30.85 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -150.63 105.39 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 94' ' ' ASP . 14.5 mt -83.51 151.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.068 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -78.94 -32.23 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.371 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 92' ' ' ILE . 13.0 m-20 -98.27 154.17 17.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 m -80.04 -11.47 59.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 100.13 3.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.818 0.342 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.418 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 157.0 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -62.8 -21.37 65.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 pt -92.95 -30.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.292 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.9 mm -59.34 132.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.31 144.1 51.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.6 m-85 -101.97 96.31 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.684 ' OE1' HG21 ' A' ' 153' ' ' VAL . 0.5 OUTLIER -82.3 130.82 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.06 27.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.4 OUTLIER -63.33 146.66 53.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.453 HG11 ' SD ' ' A' ' 150' ' ' MET . 42.0 t -94.31 140.06 22.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.95 -166.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.436 2.091 . . . . 0.0 112.253 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.79 -138.04 18.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -118.95 -37.25 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.3 167.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.27 63.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.736 ' HD2' HG23 ' A' ' 152' ' ' THR . 1.7 mmmm -95.51 170.38 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.405 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.4 OUTLIER -150.33 154.9 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -120.38 136.64 54.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.719 ' HE2' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -95.9 108.1 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -104.89 157.62 17.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.07 153.55 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 2.4 p -71.25 -39.25 71.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 4.9 t -65.48 -67.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 119' ' ' SER . 85.6 m-85 -159.37 -177.66 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.92 -174.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.31 -25.41 15.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.634 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.16 141.21 40.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.802 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 24.3 m-85 -136.64 135.89 38.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 137' ' ' ILE . 3.1 mt -68.2 108.96 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.384 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -111.71 178.65 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.194 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.0 p -112.81 153.46 27.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -139.58 129.53 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.94 96.93 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.781 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 107.08 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 60.88 -112.4 0.51 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.79 17.7 20.95 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 122.345 -0.222 . . . . 0.0 111.486 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 29' ' ' LEU . 8.0 mt -137.96 144.57 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.675 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.454 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 58.8 m-85 -97.21 101.16 12.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.047 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.2 mttt -89.06 144.43 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.355 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.708 ' HG ' HD22 ' A' ' 125' ' ' LEU . 2.7 tp -100.81 128.49 46.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.737 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -135.04 176.27 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.771 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.6 tp -106.63 113.19 26.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.481 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -152.75 -179.58 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.178 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 127.63 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.586 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 143' ' ' GLU . 7.0 tp10 -94.11 166.1 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 4.5 t70 -79.51 16.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.563 ' H ' ' HG3' ' A' ' 141' ' ' GLU . 28.2 mt-10 -160.84 121.9 2.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.88 -22.64 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.62 20.43 50.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.374 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 143' ' ' GLU . 3.4 t0 -83.15 124.93 30.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.805 0.336 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.11 -31.06 60.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.303 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.6 m -53.93 -30.04 44.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.467 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.9 pt -104.05 17.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.484 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.514 ' O ' HD21 ' A' ' 15' ' ' LEU . 23.2 mtm -123.7 126.61 46.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.68 177.98 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -117.11 136.45 52.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.684 HG21 ' OE1' ' A' ' 103' ' ' GLN . 7.9 t -126.93 120.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.11 161.94 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.788 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASN . . . . . 0.408 ' O ' ' ND2' ' A' ' 155' ' ' ASN . 0.4 OUTLIER -91.01 133.78 35.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.889 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 104.37 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.006 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.82 138.85 14.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.33 159.27 24.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -86.44 129.07 34.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -91.99 -58.0 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -175.67 145.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.29 135.1 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.37 -177.04 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.85 120.49 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -124.42 135.54 53.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.39 126.73 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.17 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 49' ' ' ILE . 26.0 mt -108.99 114.46 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -117.3 162.59 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 45.3 p30 -107.67 -162.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.9 mm? -72.95 -28.11 62.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.084 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.58 11.46 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.544 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 t70 67.18 31.36 6.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.72 137.22 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.794 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.46 140.8 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -68.7 119.7 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.19 153.15 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.026 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.885 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.7 mm -92.78 150.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -109.69 178.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.55 -20.52 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.05 22.24 29.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.696 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.0 32.59 21.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.8 134.49 23.04 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.17 94.88 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.621 2.214 . . . . 0.0 112.436 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 133' ' ' LEU . 1.1 mt -111.88 134.23 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.702 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -83.85 125.97 32.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.52 174.73 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.63 154.95 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtp -120.29 90.12 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 p -106.41 -90.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 42.05 33.24 0.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 111.304 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.6 m -61.33 -16.69 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.669 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.95 -36.14 12.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.635 0.255 . . . . 0.0 111.505 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.4 t -94.04 -22.95 18.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -50.85 -28.69 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.359 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.76 -28.41 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -140.53 33.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.62 137.65 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.222 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -88.31 -23.01 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.819 2.346 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -57.96 146.54 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.162 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -162.82 164.71 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.683 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -59.02 173.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 5.9 m-85 -77.9 152.15 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.996 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.589 ' O ' HD13 ' A' ' 49' ' ' ILE . 4.5 mp -81.29 153.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 48' ' ' ILE . 20.2 mm -127.21 118.33 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.982 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.78 122.93 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.994 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.43 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 6.5 mtm -94.82 128.69 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -96.81 150.38 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.4 tptt -87.39 103.62 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -142.95 137.34 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.4 m -91.32 50.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.27 148.79 93.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.798 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 -43.49 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.559 2.172 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.55 96.27 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.86 131.07 1.78 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.662 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -99.45 125.53 45.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.13 114.43 19.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.3 170.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -150.99 119.14 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.08 130.59 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 142.47 30.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 47' ' ' PHE . 10.9 p -101.86 136.39 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HG2' HG23 ' A' ' 71' ' ' ILE . 39.5 mtpt -126.85 137.21 53.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.326 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t 178.8 -78.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -28.19 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.173 0.511 . . . . 0.0 109.91 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 123.64 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.078 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.444 HG23 ' HG2' ' A' ' 67' ' ' LYS . 10.4 mt -63.6 118.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.423 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -128.84 148.15 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.816 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -121.14 133.45 55.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.2 tp -67.84 102.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 p -110.38 146.83 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -115.99 104.84 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.85 -101.45 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -97.82 -70.71 0.71 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.979 0.418 . . . . 0.0 110.629 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.78 -6.61 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.2 mt -104.92 171.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 138' ' ' LEU . 37.9 mm -117.96 132.4 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -143.79 151.65 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.885 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 30.2 m-85 -94.66 121.25 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.42 114.31 28.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.78 97.96 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.657 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -172.02 134.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -72.79 143.98 85.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.17 132.29 51.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 112.162 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.37 174.15 13.3 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.456 2.104 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.18 -37.08 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.754 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.88 113.88 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.569 ' CD1' HD11 ' A' ' 100' ' ' ILE . 35.6 mt -98.24 124.96 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -52.35 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.712 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 158.07 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -86.53 -23.05 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 105.33 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.401 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.87 156.0 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' HG23 ' A' ' 99' ' ' ILE . 2.6 p30 -63.38 -26.26 68.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' OD1' ' A' ' 98' ' ' ASP . 44.7 pt -88.6 -32.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 92' ' ' ILE . 36.3 mm -59.14 135.37 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 13.7 m-85 -129.33 150.42 50.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.807 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.61 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.623 ' OE1' HG21 ' A' ' 153' ' ' VAL . 9.1 tt0 -74.73 132.94 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -136.04 116.1 13.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -58.89 150.04 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.775 HG11 ' SD ' ' A' ' 150' ' ' MET . 47.8 t -103.11 131.28 22.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.66 168.39 14.31 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.703 2.268 . . . . 0.0 112.204 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.55 41.04 93.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -160.71 -176.27 5.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.644 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.31 -79.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.11 75.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -105.37 168.97 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.63 156.17 43.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.028 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.3 124.27 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 61.1 m-85 -88.25 100.69 13.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.8 158.68 18.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.16 148.19 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.5 p -63.04 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -66.85 -67.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.01 -170.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.09 24.73 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.461 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -78.36 -11.04 85.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -149.95 145.35 26.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 140' ' ' LYS . 24.0 m-85 -135.2 139.36 44.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.8 mt -63.49 114.3 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.797 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -118.44 175.97 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 18.3 t -112.34 142.42 44.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.22 128.17 47.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 99.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.47 109.54 20.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 57.49 -112.94 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -109.69 17.53 21.18 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.513 0.197 . . . . 0.0 111.409 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 29' ' ' LEU . 9.4 mt -135.58 144.73 46.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.991 0.424 . . . . 0.0 111.537 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -96.78 100.74 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.123 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.494 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -90.89 132.08 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.007 0.432 . . . . 0.0 111.805 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 151' ' ' PHE . 4.3 tp -85.8 137.88 32.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.573 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -148.92 -179.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.127 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.729 ' HB2' HD11 ' A' ' 81' ' ' ILE . 11.5 tp -106.97 119.68 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 16.0 ptmt -157.3 175.35 14.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -118.79 101.42 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.471 ' HB2' HG21 ' A' ' 149' ' ' ILE . 2.7 mm-40 -60.41 170.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.79 -30.72 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.53 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.49 123.85 41.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.504 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.402 ' CD2' ' HE2' ' A' ' 140' ' ' LYS . 11.4 mt -67.08 -22.8 65.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.07 30.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.217 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.65 123.06 33.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.459 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.58 -25.56 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 p -54.39 -29.2 48.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.549 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.3 pt -106.73 15.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.432 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.775 ' SD ' HG11 ' A' ' 106' ' ' VAL . 7.0 mtt -111.98 132.18 54.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 136' ' ' LEU . 59.2 m-85 -118.66 173.11 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.3 129.39 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.623 HG21 ' OE1' ' A' ' 103' ' ' GLN . 5.1 t -113.86 129.93 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.041 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -123.87 161.9 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.11 131.87 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.27 104.1 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.989 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.95 0.405 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.96 173.11 7.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 151.62 23.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -73.24 117.84 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.9 tt -78.42 -53.11 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 5' ' ' LEU . 8.6 pt-20 -176.34 127.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.43 120.54 41.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -142.75 177.28 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 48' ' ' ILE . 15.4 mt -102.29 117.59 35.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -123.56 134.45 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.639 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 t -81.13 135.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 19' ' ' VAL . 59.9 mt -109.26 128.59 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -135.69 161.94 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.45 -165.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.368 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.0 mm? -70.41 -28.53 65.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.69 11.94 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.47 21.35 12.44 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.33 128.78 41.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.236 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.9 p -86.25 139.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.294 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.9 tp -64.51 137.68 57.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.46 156.64 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 12.7 mm -99.07 144.03 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.681 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.4 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -57.33 -22.03 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.16 24.97 29.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.576 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.539 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.5 p-10 44.78 30.42 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.486 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.96 139.18 21.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 94.99 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.458 2.105 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -107.27 153.5 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 17.1 m-85 -100.69 125.04 47.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.74 174.74 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.13 167.4 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.74 74.07 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -86.11 153.04 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.42 27.07 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 m -97.35 -69.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.83 -40.11 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.69 -10.96 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -52.61 -30.46 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.74 26.68 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.32 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -176.86 47.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.03 145.5 50.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.56 -43.23 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.672 2.248 . . . . 0.0 112.264 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 62.84 176.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m 67.73 94.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.375 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -63.26 -172.13 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.204 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 2.6 m-85 -77.93 144.94 36.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.586 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.5 mp -68.99 133.92 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.1 mm -111.02 114.61 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.07 125.14 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.74 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -99.95 122.13 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.761 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -96.01 144.06 26.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.774 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.2 tptt -75.73 120.3 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -141.49 149.83 41.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -102.58 38.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB3' ' HD2' ' A' ' 57' ' ' PRO . 14.0 mm100 -73.99 156.02 88.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 56' ' ' GLN . 10.9 Cg_endo -53.59 -65.54 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 112.305 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -146.84 88.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . -172.62 134.57 3.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.519 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.89 113.86 25.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.856 0.36 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 110.06 15.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.999 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG12 ' HG3' ' A' ' 51' ' ' MET . 21.5 m -126.33 170.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.272 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 100' ' ' ILE . 32.1 p -150.22 117.09 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.04 129.47 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 128.74 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.35 139.89 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -129.14 133.73 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.276 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.05 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -26.77 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 0.0 109.854 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.32 123.51 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.126 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.73 118.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.341 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.68 132.5 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.2 m -118.62 135.39 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.602 HD11 ' CG2' ' A' ' 81' ' ' ILE . 19.5 tp -62.34 106.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -118.65 133.46 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.1 p -95.45 101.56 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.49 -152.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -40.28 -31.96 0.16 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 111.722 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.1 mt -77.77 162.42 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 138' ' ' LEU . 39.9 mm -101.5 137.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -156.69 137.67 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.627 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.9 m-85 -76.28 98.1 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.43 118.66 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.05 97.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.7 ptm -177.75 138.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -72.97 139.97 80.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 130.04 37.2 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.462 2.108 . . . . 0.0 112.23 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.51 157.84 57.73 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.36 2.04 . . . . 0.0 112.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.78 -38.1 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.41 98.56 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 100' ' ' ILE . 19.7 mt -82.81 127.81 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -33.09 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 92' ' ' ILE . 6.0 m-20 -89.96 158.15 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -86.96 -16.41 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 101.1 4.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.83 162.65 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.72 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.39 -20.44 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -96.02 -28.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.376 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 92' ' ' ILE . 35.5 mm -62.85 137.17 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.259 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -129.43 150.75 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.39 91.96 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.282 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.04 119.91 34.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.586 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.3 tpt180 -143.52 146.46 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.119 0.485 . . . . 0.0 111.03 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -55.93 142.61 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.447 HG11 ' SD ' ' A' ' 150' ' ' MET . 3.2 t -94.26 138.96 22.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' A' ' 106' ' ' VAL . 81.0 Cg_endo -85.32 117.94 1.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 109' ' ' HIS . . . 114.91 30.68 2.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.35 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 6.7 m-70 -154.0 -175.48 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -70.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -154.1 51.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.97 160.51 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 16.7 mmt -124.12 153.53 41.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.35 129.01 49.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.554 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 25.0 m-85 -96.36 115.05 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.912 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 26.8 tt0 -112.01 158.82 19.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 140.33 55.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.838 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.9 p -58.44 -47.51 83.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -160.09 179.34 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.33 -175.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.08 -26.6 22.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.481 ' HB3' HD11 ' A' ' 138' ' ' LEU . 6.2 m-85 -134.9 116.05 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 44.8 m-85 -119.29 144.34 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.745 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.2 mt -66.85 138.76 57.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.558 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -145.03 -177.05 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 15.1 p -117.98 112.5 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.8 129.71 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.61 104.01 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.44 102.34 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 60.63 -110.6 0.45 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.599 0.238 . . . . 0.0 111.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.94 141.04 40.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 111.289 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -98.36 100.25 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.371 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -87.87 123.84 33.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 126' ' ' ALA . 1.6 tp -70.12 138.56 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.572 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -149.35 -179.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.804 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.3 tp -107.52 113.87 27.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.637 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -149.01 174.54 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.08 100.87 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 149' ' ' ILE . 7.0 mm-40 -60.36 178.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.7 -27.49 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.88 132.82 49.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.0 -24.05 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.57 23.21 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.347 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.51 121.63 27.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.743 0.306 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.623 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.96 -25.68 44.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.269 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.6 m -54.76 -32.58 60.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.931 0.396 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.725 HG23 ' HG3' ' A' ' 141' ' ' GLU . 21.9 pt -102.31 16.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.048 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.447 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.5 mtt -111.05 122.34 47.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 3.1 m-85 -110.26 167.77 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.37 132.34 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.4 144.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -135.14 161.94 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.35 133.16 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.6 93.61 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 34.3 t0 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.922 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.823 0.344 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.48 168.55 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.82 150.47 22.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -76.3 108.54 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -70.01 -58.49 3.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.0 pt-20 -174.97 130.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -106.96 124.59 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -150.9 -176.96 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.26 125.24 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -129.96 129.65 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.64 140.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -120.73 115.69 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -108.21 165.72 11.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -108.79 -169.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 150' ' ' MET . 3.0 mm? -73.31 -23.96 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -90.31 11.52 21.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.362 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t0 68.65 28.99 5.55 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 111.028 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -92.41 -176.3 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.99 134.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 111.161 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.973 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.5 tp -71.59 125.38 26.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -145.97 160.56 41.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 83' ' ' PHE . 11.0 mm -91.62 145.57 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -106.14 -175.85 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.5 -20.53 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.47 18.52 44.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.624 ' HA ' HG23 ' A' ' 22' ' ' ILE . 3.8 t-20 57.74 38.71 27.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -106.79 139.69 20.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 96.33 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.549 2.166 . . . . 0.0 112.399 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.68 HD13 HD22 ' A' ' 133' ' ' LEU . 8.4 mt -113.78 140.49 48.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.973 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 79.1 m-85 -95.33 129.18 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.62 140.64 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.31 121.2 14.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mmm -136.77 97.54 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 p -66.31 144.95 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.34 27.23 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -97.36 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -95.38 -38.95 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.84 -11.0 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -51.51 -35.82 42.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.795 0.331 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.78 48.5 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 139.7 61.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.69 -62.82 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.489 2.126 . . . . 0.0 112.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -155.29 -179.74 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -106.88 165.23 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -64.26 175.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.9 m-85 -77.9 159.53 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.253 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.543 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.7 mp -83.67 142.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 64' ' ' ILE . 27.8 mm -117.14 120.68 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.54 116.95 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.782 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.731 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.1 mtm -89.22 124.88 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -99.92 145.35 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' LEU . 36.1 tptt -81.55 117.71 22.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.92 164.12 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -102.56 3.23 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.444 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -103.13 144.48 28.72 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -88.78 18.54 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.977 2.451 . . . . 0.0 112.915 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -147.38 96.67 2.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.899 0.38 . . . . 0.0 111.073 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.1 111.67 1.48 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.68 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 ttp -86.07 116.88 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 112.65 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.2 m -135.39 168.89 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.16 116.25 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -89.02 130.84 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.12 131.01 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.44 141.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -135.75 139.97 43.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -75.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.784 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 123.8 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.253 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.02 120.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.299 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -136.88 147.03 46.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 m -123.44 144.84 49.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 22.2 tp -77.96 118.22 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 p -128.16 135.75 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.7 p -104.33 101.59 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -95.96 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -97.85 -76.59 0.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.924 0.393 . . . . 0.0 110.536 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -6.8 9.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.981 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.72 167.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.688 ' CG2' HD11 ' A' ' 74' ' ' LEU . 37.9 mm -102.99 139.96 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 p -143.74 150.07 38.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 22' ' ' ILE . 11.1 m-85 -100.94 123.54 45.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 118.97 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.7 99.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 1.4 ptm -176.67 127.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.426 ' O ' ' HE3' ' A' ' 86' ' ' MET . 30.0 p-10 -63.0 153.08 82.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 132.61 30.66 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.55 2.167 . . . . 0.0 112.268 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.12 171.32 15.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.555 2.17 . . . . 0.0 112.375 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -97.05 -42.82 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -128.46 125.89 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.8 HG22 ' H ' ' A' ' 94' ' ' ASP . 47.7 mt -109.99 143.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 13.78 23.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.75 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.8 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.2 p30 -128.28 143.47 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.778 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 -1.73 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.561 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.3 100.02 0.51 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.81 170.84 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 99' ' ' ILE . 15.8 p30 -71.35 -21.38 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.458 HG23 ' OD1' ' A' ' 98' ' ' ASP . 4.3 pt -93.73 -30.0 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.3 mm -59.81 135.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -129.69 138.37 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.54 100.23 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -85.82 137.89 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.44 120.78 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.467 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 1.6 m -54.28 167.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.633 HG11 ' SD ' ' A' ' 150' ' ' MET . 54.3 t -107.24 136.43 19.53 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.511 ' HD2' HG13 ' A' ' 106' ' ' VAL . 34.1 Cg_endo -69.68 128.77 16.58 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.652 2.235 . . . . 0.0 111.751 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.26 -26.64 23.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.582 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -139.47 87.47 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.247 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.53 -16.57 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.64 -11.26 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HD2' HG23 ' A' ' 152' ' ' THR . 27.8 mmmt -105.69 152.48 23.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.146 0.498 . . . . 0.0 111.319 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.467 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -141.78 167.81 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.169 -179.673 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -132.04 137.34 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 125' ' ' LEU . 10.4 m-85 -96.99 111.44 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -107.15 157.42 17.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.4 t -68.3 153.29 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.5 p -66.34 -42.45 88.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -57.49 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.07 -178.16 6.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.98 -175.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.681 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.64 -21.78 29.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.691 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.34 127.38 17.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.8 0.333 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 144' ' ' LEU . 9.4 m-85 -122.02 140.17 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 115' ' ' PHE . 6.4 mt -68.93 110.34 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -112.22 177.46 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.3 p -120.4 132.36 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 126.8 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.4 OUTLIER -85.24 106.57 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -121.18 115.45 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 59.94 -117.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -109.62 17.51 21.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.309 -0.245 . . . . 0.0 111.246 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.68 HD22 HD13 ' A' ' 29' ' ' LEU . 10.1 mt -130.98 142.86 50.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.068 0.461 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -102.27 100.33 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.958 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 166.3 18.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.348 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.6 tp -119.78 138.13 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.69 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.12 175.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -104.54 109.2 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.602 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.2 ptmt -141.91 176.08 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.458 ' HE2' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -123.97 99.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.47 178.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.799 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.88 -26.32 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.6 130.55 34.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 124' ' ' PHE . 17.0 mt -65.89 -23.37 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.95 19.74 50.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.288 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.91 121.69 27.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.672 0.273 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.56 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -55.94 -28.46 57.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.8 pt -108.61 13.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.633 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.4 mtm -112.73 134.99 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.674 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -124.47 176.99 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.428 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -114.15 128.28 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.65 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.73 118.04 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 161.3 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.05 125.59 37.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.13 104.88 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.893 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.726 0.298 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -57.55 151.91 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.66 164.81 28.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -86.11 117.94 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -86.77 -57.48 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.58 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.6 pt-20 -171.63 143.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -110.07 121.09 44.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -144.85 176.18 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -101.45 148.11 25.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.597 ' O ' HG21 ' A' ' 46' ' ' ILE . 12.5 m -143.17 140.11 30.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.77 104.06 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 49' ' ' ILE . 22.9 mt -87.57 110.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HE ' HG22 ' A' ' 19' ' ' VAL . 1.7 mtt180 -111.41 158.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -98.42 -167.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.0 mm? -76.07 -24.95 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.23 11.58 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.324 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.4 29.83 3.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -92.85 -175.2 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG22 ' HE ' ' A' ' 13' ' ' ARG . 25.9 t -131.84 133.41 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -64.79 142.82 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.52 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.756 HG13 HG21 ' A' ' 66' ' ' VAL . 9.3 mm -104.99 145.6 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.94 -177.83 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -20.19 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.12 19.28 38.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.742 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HA ' HG23 ' A' ' 22' ' ' ILE . 0.7 OUTLIER 57.87 47.54 15.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.039 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -108.92 132.86 20.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.59 100.15 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.477 2.118 . . . . 0.0 112.174 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.3 mt -124.73 145.39 49.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.037 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 86.0 m-85 -99.35 123.51 43.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -135.88 157.63 46.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.53 119.44 29.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.9 mtp -101.9 109.47 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -98.58 -164.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 73.73 24.66 2.12 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.083 0.468 . . . . 0.0 109.894 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -52.57 -23.6 6.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.459 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.98 -41.05 59.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.873 0.368 . . . . 0.0 111.255 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.06 -22.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.4 37.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.084 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -47.67 -29.1 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.41 30.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.3 149.04 43.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.92 -61.8 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.645 2.23 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.38 135.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 m -135.48 119.15 17.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.951 0.405 . . . . 0.0 111.327 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 47' ' ' PHE . 4.0 tt -103.28 -155.45 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.122 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.721 ' N ' HG23 ' A' ' 46' ' ' ILE . 43.7 m-85 -77.84 128.04 33.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.9 mp -74.05 131.37 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 12' ' ' ILE . 16.0 mm -115.59 121.61 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -108.86 122.21 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.811 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.2 mtm -92.41 128.76 38.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -97.01 155.7 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.6 tptt -89.57 111.39 22.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -151.42 131.43 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 m -87.82 85.51 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -111.12 152.16 43.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.25 -58.0 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.289 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 96.1 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.37 138.66 3.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.41 112.06 24.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.72 104.39 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.0 m -129.55 170.45 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.62 HG21 HD12 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -142.45 116.66 9.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.772 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 49' ' ' ILE . 2.7 mp -90.11 134.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 t -148.03 146.49 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.756 HG21 HG13 ' A' ' 22' ' ' ILE . 12.6 p -102.18 137.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 71' ' ' ILE . 27.4 mtpt -131.12 140.63 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 111.346 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.56 -79.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.46 -26.95 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 109.848 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.84 123.08 4.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 67' ' ' LYS . 17.4 mt -65.82 121.82 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.336 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.09 129.6 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.791 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 26.5 m -101.75 138.81 38.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.649 HD11 ' CG2' ' A' ' 81' ' ' ILE . 18.4 tp -66.58 103.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.681 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.77 125.87 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.1 p -101.7 103.26 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.08 -101.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -98.15 -69.47 0.76 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.888 0.375 . . . . 0.0 110.51 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -6.73 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.173 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.7 mt -106.95 164.43 4.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.858 0.361 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 138' ' ' LEU . 43.5 mm -110.09 131.78 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 p -139.12 135.78 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.3 m-85 -82.36 113.8 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.77 128.57 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.94 97.91 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.7 ptm -173.99 129.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.98 155.73 70.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.79 120.6 7.8 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.505 2.136 . . . . 0.0 112.162 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.55 176.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.364 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -109.14 -30.71 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.767 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -155.91 92.02 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 100' ' ' ILE . 32.1 mt -75.58 126.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -54.15 48.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.06 158.13 23.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 2' ' ' PHE . 46.5 p -86.54 -21.08 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.56 103.29 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.423 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.82 161.83 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -69.07 -19.78 64.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 63' ' ' THR . 1.9 pt -97.67 -29.74 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 63' ' ' THR . 30.0 mm -59.09 143.32 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -132.81 152.29 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -112.1 94.0 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.445 ' OE1' HG21 ' A' ' 153' ' ' VAL . 6.5 tt0 -76.15 135.38 39.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -139.15 116.96 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.0 p -60.56 163.49 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.72 HG21 ' SD ' ' A' ' 150' ' ' MET . 42.4 t -112.56 135.98 21.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.86 160.0 21.29 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.705 2.27 . . . . 0.0 112.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.14 -84.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.75 -47.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -71.95 175.3 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -115.98 52.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HZ1' HD13 ' A' ' 15' ' ' LEU . 3.4 mmmm -79.8 164.43 23.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -138.07 164.39 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -137.91 133.75 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.696 ' CG ' HD12 ' A' ' 125' ' ' LEU . 27.7 m-85 -95.26 126.78 40.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 124' ' ' PHE . 30.0 tt0 -116.01 158.84 22.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 t -65.52 139.81 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -59.35 -36.33 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -60.88 -69.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -160.02 -178.42 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -176.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.71 -25.34 15.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.54 142.7 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' A' ' 116' ' ' GLU . 13.5 m-85 -139.27 160.35 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.696 HD12 ' CG ' ' A' ' 115' ' ' PHE . 10.9 mt -70.46 131.61 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.71 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.606 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -137.49 167.85 20.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 p -113.76 125.54 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.19 126.89 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.76 103.25 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.85 117.07 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 59.37 -117.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.58 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.56 17.51 21.29 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.337 -0.227 . . . . 0.0 111.421 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 29' ' ' LEU . 11.8 mt -133.94 144.16 48.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.519 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -101.71 100.34 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.998 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.595 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.03 170.92 14.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.7 134.33 53.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.686 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -145.72 174.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.195 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.711 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.8 tp -99.29 106.32 18.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.606 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 0.8 OUTLIER -142.58 169.03 18.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -124.0 98.9 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 149' ' ' ILE . 9.8 mm-40 -60.44 176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -31.33 39.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.66 123.7 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 140' ' ' LYS . 7.4 mt -68.67 -24.41 64.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.06 24.81 26.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -87.62 123.85 32.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -24.14 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 p -54.84 -29.02 54.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.524 HG23 ' HG3' ' A' ' 141' ' ' GLU . 46.7 pt -109.93 13.13 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.429 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.72 ' SD ' HG21 ' A' ' 106' ' ' VAL . 6.1 mtm -111.89 133.01 54.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.599 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -125.03 174.61 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 140.73 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.445 HG21 ' OE1' ' A' ' 103' ' ' GLN . 4.4 t -129.55 118.56 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -112.19 161.94 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -89.42 133.78 34.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.19 96.15 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 9.1 t80 -127.0 153.22 46.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.64 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' ASN . . . -159.16 161.41 32.0 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.759 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.57 134.89 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.2 tt -95.71 -49.75 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HG2' HD22 ' A' ' 5' ' ' LEU . 3.8 pt-20 -177.1 142.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -109.74 127.73 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 -177.68 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.8 mt -107.95 124.5 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.591 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.67 133.83 47.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.556 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' HA ' HD12 ' A' ' 46' ' ' ILE . 26.5 t -81.25 133.32 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.5 mt -115.29 108.32 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.049 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -101.9 156.8 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -100.79 -172.86 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm? -63.18 -30.58 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.97 11.48 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.364 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.58 29.9 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -102.16 136.03 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.03 136.83 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 30' ' ' PHE . 19.5 tp -67.92 145.95 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -156.55 166.83 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 26' ' ' ASN . 7.7 mm -101.09 150.35 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -176.33 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -61.56 -19.46 62.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.49 14.49 56.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.723 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' HA ' HG23 ' A' ' 22' ' ' ILE . 20.9 t-20 55.76 69.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -141.12 141.68 24.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.7 Cg_endo -74.9 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.49 2.127 . . . . 0.0 112.319 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 133' ' ' LEU . 1.7 mt -114.44 137.18 52.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.762 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CE2' HD13 ' A' ' 20' ' ' LEU . 32.2 m-85 -87.57 124.57 33.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -136.91 166.95 22.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.13 152.37 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.1 mmm -124.34 133.89 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -101.72 137.45 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -132.97 22.94 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -97.42 -62.02 1.31 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 -45.99 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.764 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -62.73 -18.08 61.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -51.75 -27.56 12.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.274 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.71 83.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.96 46.5 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 38' ' ' CYS . . . -61.46 135.64 94.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -90.42 -18.94 1.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.841 2.361 . . . . 0.0 112.948 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.97 146.86 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 111.231 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.64 146.15 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -76.33 -168.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.997 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' N ' HG23 ' A' ' 46' ' ' ILE . 52.3 m-85 -78.19 166.32 22.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.063 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 48' ' ' ILE . 4.3 mp -97.63 123.64 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.575 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.439 HD12 HG13 ' A' ' 64' ' ' ILE . 23.9 mm -98.12 125.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.351 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -108.02 107.59 18.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.797 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.72 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.5 mtm -80.97 133.45 35.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 98.1 m-85 -107.44 162.55 13.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -87.89 120.91 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.731 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -113.71 138.74 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -68.89 -66.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.84 143.83 36.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 73.39 3.98 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -126.25 79.91 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 81.69 159.66 24.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.584 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 ttm -97.14 112.16 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.46 112.27 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.72 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.1 m -137.68 170.59 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.512 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.66 121.24 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG13 HD12 ' A' ' 49' ' ' ILE . 3.6 mp -93.29 121.41 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 136.71 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 13.7 p -92.9 136.3 25.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG2' HG23 ' A' ' 71' ' ' ILE . 17.0 mttt -131.83 137.76 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.314 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 -78.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.831 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 -27.88 13.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.591 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.69 127.91 10.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.925 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.455 HG23 ' HG2' ' A' ' 67' ' ' LYS . 62.6 mt -77.73 118.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.444 . . . . 0.0 111.295 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 m -133.23 144.42 49.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 m -122.78 133.1 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.49 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.9 tp -62.04 116.84 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -123.07 128.73 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.0 101.47 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -155.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.61 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -42.54 -30.42 0.35 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.534 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.0 142.85 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 138' ' ' LEU . 36.1 mm -90.26 127.35 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.5 p -147.71 141.15 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -81.38 116.79 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.6 133.05 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.57 100.31 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -178.01 129.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -66.87 148.62 98.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 127.08 24.47 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.456 2.104 . . . . 0.0 112.214 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.67 155.43 59.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.438 2.092 . . . . 0.0 112.209 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -91.2 -29.81 17.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.593 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.404 ' HA ' ' HA2' ' A' ' 3' ' ' GLY . 1.6 t30 -159.69 102.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.547 HG22 ' H ' ' A' ' 94' ' ' ASP . 8.0 mt -81.05 150.96 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 3.4 pttt -81.63 -30.46 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.4 m-20 -94.97 158.11 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -85.78 -12.28 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.409 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 101.7 3.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.404 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.82 172.67 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.673 ' OD1' HG23 ' A' ' 99' ' ' ILE . 12.9 p30 -75.7 -18.13 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.673 HG23 ' OD1' ' A' ' 98' ' ' ASP . 33.4 pt -95.76 -30.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.443 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 44.1 mm -59.24 140.58 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -131.49 146.22 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 5.6 m-85 -103.54 93.47 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.505 ' CD ' HG21 ' A' ' 153' ' ' VAL . 10.7 tt0 -94.22 115.66 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 7.9 tpt180 -138.7 145.81 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 111.191 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.406 ' CB ' ' HE2' ' A' ' 113' ' ' MET . 0.7 OUTLIER -58.98 143.94 46.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.149 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.425 ' CG1' ' HD2' ' A' ' 107' ' ' PRO . 5.4 t -93.11 140.13 23.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 51.3 Cg_exo -53.85 139.24 69.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.09 -135.59 7.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -119.32 -46.58 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -59.35 167.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -99.72 39.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' SER . 14.1 mmmm -66.62 156.53 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.406 ' HE2' ' CB ' ' A' ' 105' ' ' SER . 17.7 mmt -126.43 151.79 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -123.45 130.05 52.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.0 m-85 -96.56 111.51 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.762 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.434 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -110.6 158.56 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -67.8 148.81 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 91.0 p -63.49 -41.36 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 13.2 t -59.21 -76.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CG ' ' O ' ' A' ' 119' ' ' SER . 94.7 m-85 -157.51 -176.15 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.06 -174.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.46 -14.94 57.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.726 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.19 117.07 8.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 20.6 m-85 -119.51 141.64 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -71.41 127.11 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.742 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -132.14 174.06 10.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.74 118.31 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.798 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.26 128.26 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 107.79 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -121.3 102.5 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 61.38 -113.4 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.52 17.54 21.28 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.599 0.238 . . . . 0.0 111.25 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 29' ' ' LEU . 8.4 mt -136.76 139.83 42.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.409 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.91 100.83 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.239 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.596 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -87.88 123.47 32.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.96 137.66 45.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.697 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.38 -179.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.766 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 81' ' ' ILE . 8.9 tp -113.89 112.73 23.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.427 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.02 176.89 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.322 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.56 93.48 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 149' ' ' ILE . 32.2 mm-40 -60.62 173.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -28.35 39.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.47 123.64 41.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.94 -22.86 62.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.14 22.43 36.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.222 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.89 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.65 -26.06 61.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -54.85 -28.43 49.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.742 HG22 ' HB2' ' A' ' 126' ' ' ALA . 23.6 pt -105.51 11.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.498 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 24.0 mtt -106.18 148.2 28.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.724 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -129.93 171.68 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.18 130.68 52.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.505 HG21 ' CD ' ' A' ' 103' ' ' GLN . 12.8 t -115.27 143.44 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.308 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.37 161.97 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.23 131.33 34.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -93.37 128.6 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.818 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.793 0.33 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.52 160.0 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 123.03 1.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.416 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tpmt? -59.44 118.59 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -81.78 -55.99 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.57 ' HG2' HD22 ' A' ' 5' ' ' LEU . 11.8 pt-20 -176.73 142.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.19 123.79 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HE3' ' A' ' 51' ' ' MET . 35.7 pttt -146.81 158.8 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 48' ' ' ILE . 8.6 mt -80.99 123.69 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.755 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -129.3 135.49 48.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.591 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.7 t -81.56 130.24 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 49' ' ' ILE . 35.6 mt -108.74 112.74 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 169.85 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 49.3 p30 -122.27 -163.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 15' ' ' LEU . 1.1 mm? -72.62 -26.84 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.45 11.51 19.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.419 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 63.95 31.57 13.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -107.46 141.88 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.58 138.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.2 tp -63.93 131.99 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.8 157.19 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 26' ' ' ASN . 9.9 mm -99.7 141.04 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -105.97 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.22 -23.47 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.42 30.82 8.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.707 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.8 p-10 44.93 34.5 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.796 0.332 . . . . 0.0 111.437 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 137.38 22.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.11 97.61 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.531 2.154 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 HD22 ' A' ' 133' ' ' LEU . 3.0 mt -116.29 134.58 54.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.715 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 93.9 m-85 -83.79 132.46 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -137.98 140.72 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.33 122.63 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.38 149.84 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 p -87.79 -48.65 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t0 59.69 30.51 20.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -97.29 -58.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.32 -39.22 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -12.27 60.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.344 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.35 -59.01 2.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.182 0.515 . . . . 0.0 111.141 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.57 48.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.228 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.61 38.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.56 143.15 40.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.69 -43.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.523 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -102.9 156.92 17.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -145.23 -170.01 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.78 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER -71.24 160.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.721 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -77.78 146.93 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.944 -179.576 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 mp -72.01 157.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 48' ' ' ILE . 25.4 mm -128.84 121.36 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 114.32 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.5 mtm -88.64 129.46 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 4' ' ' LYS . 13.4 m-85 -102.77 157.11 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.043 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 5' ' ' LEU . 18.2 tptt -98.9 115.34 28.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.41 137.51 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -92.13 60.1 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.509 HE21 ' HE2' ' A' ' 102' ' ' PHE . 10.1 mm100 -83.57 162.13 54.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.17 -59.26 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.642 2.228 . . . . 0.0 112.301 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -161.61 93.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.26 115.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.589 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 ttm -74.44 117.1 15.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 118.36 21.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.491 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.2 m -142.29 169.63 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.9 p -147.5 112.45 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 HD12 ' A' ' 49' ' ' ILE . 5.3 mt -83.86 136.82 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.48 138.66 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.105 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.84 143.82 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.902 ' HE2' HD13 ' A' ' 71' ' ' ILE . 17.3 mttt -135.49 136.38 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.528 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t 179.12 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.851 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -102.18 -26.52 13.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.931 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 125.07 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.121 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.902 HD13 ' HE2' ' A' ' 67' ' ' LYS . 18.3 mt -64.76 109.33 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.43 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -119.0 145.11 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -117.95 139.88 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 81' ' ' ILE . 65.0 tp -77.07 109.55 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -121.78 145.61 47.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 81' ' ' ILE . 27.3 p -109.24 114.96 29.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.697 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -100.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.03 -67.77 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.398 . . . . 0.0 110.613 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -124.57 -6.52 7.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.4 mt -107.4 169.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.74 ' CG2' HD11 ' A' ' 74' ' ' LEU . 41.9 mm -108.59 148.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.07 162.26 39.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 9.6 m-85 -104.83 118.6 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.44 108.63 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.99 97.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.696 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -171.18 136.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.902 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.2 m120 -68.93 152.19 96.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.682 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 132.29 31.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.63 174.96 11.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.365 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -104.92 -47.46 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.4 mt -85.91 141.72 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -32.09 40.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 92' ' ' ILE . 17.0 m-20 -86.29 149.73 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -12.19 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 100.16 3.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -92.88 152.73 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -59.54 -24.84 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -88.62 -30.76 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 97' ' ' SER . 34.7 mm -61.44 128.92 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.02 146.66 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.509 ' HE2' HE21 ' A' ' 56' ' ' GLN . 7.4 m-85 -105.39 91.33 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -75.12 132.36 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -136.68 120.34 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.4 158.55 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.669 HG11 ' SD ' ' A' ' 150' ' ' MET . 46.7 t -105.84 133.21 20.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.8 101.5 1.18 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -170.42 -107.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.56 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -116.51 -66.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.47 171.12 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -97.7 48.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.76 164.53 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -138.82 165.52 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.711 ' NE2' HD12 ' A' ' 149' ' ' ILE . 0.7 OUTLIER -138.8 121.98 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.724 ' HB2' HD12 ' A' ' 125' ' ' LEU . 34.6 m-85 -86.03 120.77 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 4.5 tt0 -105.01 158.83 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 139.31 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 5.9 p -60.48 -42.24 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 t -58.63 -67.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.06 -179.54 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.67 -175.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.82 -45.82 1.26 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.04 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 7.6 m-85 -122.44 150.37 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 115' ' ' PHE . 5.6 mt -67.31 135.93 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -146.91 160.76 41.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.34 131.45 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.1 132.76 51.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -79.46 131.53 36.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.52 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 6.4 mt-10 -144.9 95.99 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.412 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 83.6 mtt180 61.71 -105.85 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.369 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -110.2 17.49 20.9 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 122.244 -0.285 . . . . 0.0 111.695 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -138.91 139.55 38.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.154 0.502 . . . . 0.0 111.917 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 129' ' ' LYS . 6.6 m-85 -102.99 100.15 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.326 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.431 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -81.79 171.11 14.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.542 -178.726 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 125' ' ' LEU . 13.8 tp -124.74 134.73 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -179.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.596 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -104.59 118.38 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.8 ptmt -153.92 177.77 10.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 111.076 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 101.7 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.698 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.475 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.5 mm-40 -60.53 171.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -29.77 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.8 125.41 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.501 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.8 -22.3 66.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.019 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.39 21.25 43.72 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.212 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -86.73 121.1 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.611 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.94 -25.96 33.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.7 p -54.28 -30.16 49.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.711 HD12 ' NE2' ' A' ' 114' ' ' GLN . 22.6 pt -107.49 15.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.669 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.2 mtt -110.01 135.84 50.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.6 171.5 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.68 140.62 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.98 135.56 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 161.84 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.56 132.49 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.02 89.53 7.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.835 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.84 159.0 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.8 165.29 26.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -97.83 114.64 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -77.65 -59.03 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.1 pt-20 -172.65 142.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 t -112.16 130.56 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 176.56 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 48' ' ' ILE . 13.2 mt -94.46 126.18 39.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.59 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -127.36 129.53 47.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.48 128.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.7 mt -111.44 116.02 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.088 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -112.63 155.16 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -97.66 -167.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.0 mm? -68.67 -31.43 70.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -89.81 11.5 19.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.38 32.85 2.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -100.32 131.81 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.23 138.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.669 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 21.4 tp -77.14 114.98 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.65 158.81 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.849 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.3 mm -89.01 147.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.69 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.32 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.66 -19.72 59.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.86 18.9 36.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.691 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HG23 ' A' ' 22' ' ' ILE . 9.3 m-80 56.99 64.31 1.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.935 0.398 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.4 mtt85 -133.79 134.59 23.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 27' ' ' ARG . 9.3 Cg_exo -71.97 105.48 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.646 2.231 . . . . 0.0 112.185 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 28' ' ' PRO . 3.6 mt -127.15 133.84 50.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -87.31 133.63 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -158.29 162.15 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.83 159.54 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.03 103.11 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.19 -92.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.4 38.01 4.86 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.6 m -47.76 -28.68 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -80.86 -30.9 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t -94.0 -11.03 31.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.522 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -46.18 -59.47 2.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.395 0.617 . . . . 0.0 110.847 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.54 -26.9 68.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -117.13 57.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -162.4 134.49 4.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.245 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -91.81 -12.79 1.9 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.98 2.453 . . . . 0.0 112.83 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 142.04 12.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.933 0.397 . . . . 0.0 111.327 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -164.62 166.13 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.764 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -67.94 177.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.825 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -77.99 160.92 27.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.289 -179.356 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.462 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.1 mp -88.34 139.85 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -115.09 133.43 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -116.08 124.13 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.669 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.9 mtm -97.59 124.52 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 24.8 m-85 -88.23 152.39 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 5' ' ' LEU . 17.1 tptt -99.97 103.54 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.54 142.99 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -83.27 78.96 9.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -92.92 148.18 35.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.498 2.132 . . . . 0.0 112.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -156.25 91.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.58 125.24 0.77 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -89.03 118.85 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.0 104.92 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HG3' ' A' ' 51' ' ' MET . 25.0 m -133.71 166.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.557 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.8 p -148.52 132.5 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' THR . 3.5 mp -99.48 138.99 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.22 137.98 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.43 144.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -132.26 145.84 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.031 0.444 . . . . 0.0 111.353 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.74 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -25.82 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.835 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.76 124.76 4.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.202 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -68.04 122.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.3 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -132.1 148.68 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 64' ' ' ILE . 28.3 m -129.33 140.22 51.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 81' ' ' ILE . 18.8 tp -68.75 103.02 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 130.66 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 23.6 p -104.55 105.01 14.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -54.69 -100.09 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -97.96 -69.17 0.77 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.941 0.4 . . . . 0.0 110.712 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -6.59 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.282 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -107.94 172.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.682 HG21 HD11 ' A' ' 74' ' ' LEU . 36.9 mm -115.11 139.37 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 m -149.01 139.72 22.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.849 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 22.0 m-85 -84.28 115.17 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -98.41 125.53 43.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.56 97.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.439 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 2.0 ptm -175.17 147.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -79.47 154.85 76.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 28.4 Cg_endo -62.95 120.88 8.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.59 2.193 . . . . 0.0 112.174 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 24.4 Cg_exo -62.27 154.79 60.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.379 2.053 . . . . 0.0 112.31 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -96.26 -24.98 15.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.93 87.26 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -69.99 148.18 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 35.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -148.34 153.42 38.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -85.6 -5.48 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 100.01 1.72 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.417 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 150.62 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -60.41 -22.13 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.24 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.6 pt -92.7 -29.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.387 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 63' ' ' THR . 32.8 mm -64.7 141.67 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -132.12 153.09 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.41 96.45 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.175 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.5 129.9 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.747 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.7 120.63 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.1 p -56.03 166.88 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' SD ' ' A' ' 150' ' ' MET . 41.7 t -116.23 136.22 22.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.416 ' HD2' HG13 ' A' ' 106' ' ' VAL . 91.3 Cg_endo -80.63 143.92 15.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.645 2.23 . . . . 0.0 112.259 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.12 44.3 36.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -159.2 -177.65 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.325 . . . . 0.0 110.674 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -72.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -160.12 40.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.57 ' HD2' HG23 ' A' ' 152' ' ' THR . 13.1 mmmm -71.0 154.19 42.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -134.49 168.3 19.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -140.6 126.68 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 90.2 m-85 -88.1 119.85 28.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tm-20 -108.62 158.74 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 135.56 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -58.78 -40.68 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 0.1 OUTLIER -60.62 -72.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 21.8 p90 -160.05 179.73 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.0 -174.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 -27.71 18.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -132.52 109.95 10.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 5.5 m-85 -114.4 146.41 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 136' ' ' LEU . 1.6 mt -70.4 121.72 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.682 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.698 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -129.65 167.16 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.08 134.65 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -108.45 136.58 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -87.02 108.74 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -123.25 107.96 12.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 59.61 -114.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -109.5 17.58 21.24 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.557 0.218 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -131.34 137.58 48.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.464 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 32.1 m-85 -98.22 100.23 11.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.731 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.31 169.86 16.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.34 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 125' ' ' LEU . 4.1 tp -129.58 132.07 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -143.73 178.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.96 111.08 23.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.597 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -146.6 177.06 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.668 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.25 100.08 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.8 mm-40 -60.48 171.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.96 -30.36 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -125.6 125.23 42.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.423 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.6 18.87 55.58 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.322 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.03 125.19 31.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.44 -25.79 51.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.143 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.433 ' N ' ' HD3' ' A' ' 147' ' ' ARG . 2.8 p -55.74 -26.59 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.4 pt -108.62 13.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.451 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 106' ' ' VAL . 8.7 mtm -117.85 148.16 42.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.732 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 2.4 m-85 -137.91 177.83 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -122.44 131.76 54.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.99 134.89 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -134.08 161.88 33.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.67 132.26 34.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.16 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.885 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 2.1 t80 -137.43 156.67 47.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -159.91 179.96 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.268 -0.968 . . . . 0.0 113.007 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.05 132.0 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 111.238 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -88.48 -48.65 7.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.643 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.0 pt-20 -177.28 137.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 132.24 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -149.24 163.88 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 48' ' ' ILE . 20.9 mt -96.5 122.99 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 3.8 m -126.9 136.77 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.41 ' HA ' HD12 ' A' ' 46' ' ' ILE . 30.9 t -81.13 137.02 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.52 112.29 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.337 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 19' ' ' VAL . 22.8 mtt85 -116.4 145.64 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.699 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -85.64 -168.46 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.9 mm? -74.48 -27.26 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -89.91 11.61 19.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 71.51 36.67 1.25 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -110.51 129.54 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 13' ' ' ARG . 23.0 t -84.03 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.45 148.42 37.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.82 164.69 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG12 ' CE2' ' A' ' 47' ' ' PHE . 15.4 mm -100.34 151.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.801 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -114.74 -179.27 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.81 -20.38 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.06 22.08 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.458 ' HA ' HG23 ' A' ' 22' ' ' ILE . 76.3 m-20 58.34 31.85 21.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.569 ' HB3' HD21 ' A' ' 29' ' ' LEU . 4.7 mtt-85 -93.36 132.87 29.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.563 ' C ' HD23 ' A' ' 29' ' ' LEU . 68.6 Cg_endo -74.07 97.46 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.384 2.056 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -117.74 141.07 48.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -87.09 133.69 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -137.32 170.61 15.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -96.3 127.05 41.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.09 131.65 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.2 p -97.46 -71.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.72 26.71 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.6 t -97.37 -67.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.49 -48.55 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -17.56 62.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.216 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -47.78 -28.4 2.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.296 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.78 -26.35 45.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -138.02 38.22 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.49 137.68 30.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -87.21 -35.72 0.1 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.861 2.374 . . . . 0.0 112.835 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 76.71 0.34 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.653 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 m -131.32 117.73 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -88.44 -166.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.412 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 46' ' ' ILE . 49.7 m-85 -78.04 129.42 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.2 mp -68.06 131.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.727 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.41 108.45 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.19 110.08 22.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.835 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.06 131.03 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 2' ' ' PHE . 8.8 m-85 -102.53 149.03 24.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.7 tptm -77.59 119.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -112.97 127.76 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -69.06 -40.08 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.24 139.05 22.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.7 92.48 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -165.37 105.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.98 128.68 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG2' HG13 ' A' ' 62' ' ' VAL . 48.9 ttp -70.81 120.93 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.76 116.5 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.835 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.5 m -140.87 170.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.38 109.29 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 47' ' ' PHE . 1.7 mp -82.67 125.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.81 139.43 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 11.8 p -97.66 136.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HG3' HD13 ' A' ' 48' ' ' ILE . 10.4 mttp -125.21 137.54 54.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.362 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 t 178.8 -83.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.04 -32.64 16.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 123.68 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.549 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.4 118.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.225 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 m -126.25 137.9 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 m -114.47 138.84 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.0 tp -74.39 120.87 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -123.53 141.45 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.04 101.54 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.92 -154.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -40.79 -31.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.612 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.52 -33.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mt -74.66 148.38 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.886 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 138' ' ' LEU . 35.9 mm -102.67 137.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -152.09 145.93 25.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -88.93 105.39 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.76 123.5 31.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 100.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -177.75 124.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -63.01 151.13 86.75 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.88 133.4 41.45 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.451 2.1 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.18 160.54 32.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.519 2.146 . . . . 0.0 112.441 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.1 -30.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -141.93 124.59 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.7 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.44 HD12 ' HD2' ' A' ' 2' ' ' PHE . 6.7 mt -108.57 131.04 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -54.81 -38.54 67.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.985 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -105.08 158.14 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -17.72 41.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 100.01 5.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.98 165.42 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 179.663 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -66.75 -16.69 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 pt -99.91 -29.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 111.28 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 97' ' ' SER . 33.2 mm -59.03 139.16 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.153 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -132.04 155.24 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.785 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.89 102.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 153' ' ' VAL . 11.1 tt0 -86.77 131.92 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.13 121.44 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.35 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.4 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -58.1 151.07 19.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 150' ' ' MET . 48.7 t -89.99 140.1 27.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 106' ' ' VAL . 51.5 Cg_exo -54.01 121.97 10.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.453 2.102 . . . . 0.0 112.141 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.32 -50.97 3.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.366 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -93.38 82.83 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 0.0 110.666 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.4 -18.23 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.406 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.75 -19.96 47.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.236 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' CD ' HG23 ' A' ' 152' ' ' THR . 6.5 mmmm -94.07 153.73 17.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.969 0.414 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.434 ' SD ' HG23 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -146.23 163.61 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.211 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.469 ' OE1' HD12 ' A' ' 149' ' ' ILE . 0.0 OUTLIER -127.96 137.11 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -97.09 114.03 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.1 tt0 -108.41 150.95 26.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.94 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -60.12 -32.72 71.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.68 -70.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -160.04 173.17 16.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -175.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.52 -45.95 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -115.57 130.66 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 18.6 m-85 -127.98 141.54 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 136' ' ' LEU . 4.8 mt -69.95 108.32 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.549 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -112.42 -175.29 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.207 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.32 132.21 56.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.97 125.23 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -78.93 95.61 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.687 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.55 110.09 21.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 60.69 -114.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.61 17.43 21.33 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 122.345 -0.222 . . . . 0.0 111.427 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 29' ' ' LEU . 10.0 mt -136.07 139.78 43.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.96 0.409 . . . . 0.0 111.428 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -97.94 100.24 11.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.91 179.247 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -82.62 170.91 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 125' ' ' LEU . 5.5 tp -115.65 119.91 37.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -129.26 176.5 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.0 tp -107.49 108.47 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.456 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.446 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -147.29 175.67 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.271 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.435 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -124.04 98.78 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.652 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.616 ' HG3' HG23 ' A' ' 149' ' ' ILE . 66.5 mm-40 -60.31 175.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.8 -32.39 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -117.33 123.21 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.813 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.486 ' N ' HD23 ' A' ' 144' ' ' LEU . 5.0 mt -69.3 -25.24 64.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.061 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.22 17.11 58.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -78.87 119.11 21.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -25.54 11.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 m -53.95 -38.33 64.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.616 HG23 ' HG3' ' A' ' 141' ' ' GLU . 38.9 pt -97.08 13.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.308 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' MET . . . . . 0.441 ' SD ' HG11 ' A' ' 106' ' ' VAL . 14.4 mtm -116.69 126.99 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.655 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -113.13 177.14 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.406 HG23 ' CD ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -119.63 130.0 54.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.815 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 103' ' ' GLN . 9.2 t -119.72 127.22 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.046 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.96 161.84 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.92 133.04 33.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.81 112.59 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.817 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.849 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.936 0.398 . . . . 0.0 111.274 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t80 -133.57 154.91 50.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.619 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.65 171.53 36.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.767 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 133.33 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.3 tt -92.37 -57.35 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.1 pt-20 -169.73 133.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -101.08 132.25 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HE2' ' HE1' ' A' ' 51' ' ' MET . 39.6 pttt -149.75 175.64 11.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.84 126.62 50.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.8 m -128.81 140.54 51.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.479 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.07 137.89 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 30' ' ' PHE . 44.8 mt -113.93 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.121 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.43 153.22 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.92 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -110.82 -173.7 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.015 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.599 ' H ' HD22 ' A' ' 15' ' ' LEU . 2.6 mm? -57.79 -24.81 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.268 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.92 11.31 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 59.09 25.66 14.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.671 0.272 . . . . 0.0 111.302 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.81 -163.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.824 HG11 ' HE1' ' A' ' 33' ' ' MET . 42.2 t -138.42 133.58 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 19.7 tp -59.5 149.86 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.6 164.96 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 111.067 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.572 HD11 ' CE2' ' A' ' 83' ' ' PHE . 10.6 mm -99.36 148.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -111.03 171.49 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.0 -25.7 5.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.94 38.24 3.38 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.2 p-10 44.91 35.81 1.66 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.48 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.27 129.09 38.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' C ' HD23 ' A' ' 29' ' ' LEU . 58.8 Cg_endo -71.82 103.09 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.387 2.058 . . . . 0.0 112.215 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 4.2 mt -118.27 139.43 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 12' ' ' ILE . 32.3 m-85 -94.84 119.38 33.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -148.46 153.18 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.36 143.72 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.824 ' HE1' HG11 ' A' ' 19' ' ' VAL . 12.0 mtm -117.61 153.22 33.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -124.74 -75.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.815 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.0 36.79 26.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -65.15 -20.78 66.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.204 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -95.63 -29.96 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 t -94.12 -17.09 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.496 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 3.5 ptm85 -51.49 -29.02 15.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.712 0.291 . . . . 0.0 111.35 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -59.48 -31.05 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -140.22 29.67 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.36 137.87 19.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 96.3 Cg_endo -89.11 -20.48 1.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.873 2.382 . . . . 0.0 112.886 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 9.6 ptm180 43.1 91.15 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.368 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 m -118.95 121.02 38.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -85.29 -158.67 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.134 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 46' ' ' ILE . 62.3 m-85 -78.09 149.4 33.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 110.779 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 48' ' ' ILE . 5.0 mp -85.19 128.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.23 115.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.47 110.21 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.849 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -82.99 125.93 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.79 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 32.7 m-85 -98.54 158.63 15.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HD12 ' A' ' 5' ' ' LEU . 13.2 tptt -79.53 120.36 23.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -100.46 153.56 19.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.5 m -87.34 -46.27 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.5 146.44 33.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.58 67.55 7.19 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.635 2.223 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.9 85.6 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 88.99 156.33 31.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.661 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 114.19 28.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.761 0.315 . . . . 0.0 111.032 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.71 17.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.7 m -132.79 170.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.443 ' CG2' HD13 ' A' ' 100' ' ' ILE . 33.5 p -142.05 118.09 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.1 125.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 133.76 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 22' ' ' ILE . 14.5 p -93.47 144.27 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -136.46 136.79 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.402 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.9 t 176.76 -79.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.21 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -94.2 -28.3 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.118 0.485 . . . . 0.0 110.008 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 123.08 2.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.8 mt -63.34 121.69 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.379 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.33 133.1 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.6 m -114.96 139.24 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.597 HD23 ' CE2' ' A' ' 101' ' ' PHE . 7.0 tp -71.2 105.39 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.777 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -111.34 132.44 54.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.9 p -100.67 101.56 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.817 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -43.7 -30.37 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.817 0.342 . . . . 0.0 111.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 -32.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mt -78.53 147.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 138' ' ' LEU . 31.6 mm -99.51 138.71 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -159.14 140.01 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -78.28 101.3 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -81.27 123.46 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.73 97.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -177.21 132.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -75.53 146.39 80.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.85 132.76 48.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.495 2.13 . . . . 0.0 112.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 159.48 44.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.401 2.067 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.33 -42.19 26.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -145.55 120.12 9.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.725 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.534 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.9 mt -93.22 147.07 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -81.86 -34.11 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 92' ' ' ILE . 9.9 m-20 -92.58 151.47 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -79.98 -17.58 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 101.73 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.86 170.94 9.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.758 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.551 ' OD1' HG23 ' A' ' 99' ' ' ILE . 11.6 p30 -74.53 -23.32 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.551 HG23 ' OD1' ' A' ' 98' ' ' ASP . 2.6 pt -92.89 -28.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.3 mm -59.68 138.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 56.2 m-85 -131.77 147.12 52.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.719 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 3.0 m-85 -105.25 94.57 5.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 153' ' ' VAL . 5.9 tt0 -94.32 112.72 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -125.74 151.71 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.5 p -70.39 134.52 47.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.92 136.83 28.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.138 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.84 173.9 7.87 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.788 2.325 . . . . 0.0 112.371 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 59.02 36.0 86.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -159.93 -176.8 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -72.92 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -160.03 70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -99.66 174.43 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 137.36 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 0.6 OUTLIER -109.26 140.25 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.805 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.463 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 10.4 m-85 -103.16 113.68 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 12.5 tt0 -110.45 158.93 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.68 139.14 51.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.435 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 1.4 t -57.31 -26.59 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.128 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.39 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -160.76 84.63 0.69 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.582 0.23 . . . . 0.0 111.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.98 -171.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.242 0.544 . . . . 0.0 111.642 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.96 -27.24 21.08 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.416 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 138' ' ' LEU . 17.6 m-85 -149.47 124.83 10.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 43.2 m-85 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 8.3 mt -73.31 117.95 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -121.31 -179.79 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.88 143.47 45.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.39 124.88 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.3 95.55 7.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.83 105.17 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.683 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 61.82 -113.44 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -109.69 17.55 21.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.583 0.23 . . . . 0.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.43 140.5 44.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.989 0.423 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -98.47 100.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.87 130.54 34.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 111.351 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.32 127.96 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.446 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -136.8 176.75 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -108.45 109.55 20.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.912 0.386 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -144.27 -176.71 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.491 ' HZ2' ' HA ' ' A' ' 140' ' ' LYS . 0.9 OUTLIER -124.04 100.14 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.46 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -60.32 169.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.92 -30.45 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.2 123.36 40.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.31 -22.64 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.25 23.88 31.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.141 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.25 122.55 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.3 ppt_? -56.14 -25.43 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -54.39 -28.85 46.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.9 pt -105.86 15.37 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -113.1 145.47 40.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -134.43 170.5 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 133.85 54.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 103' ' ' GLN . 2.4 t -119.33 125.71 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.76 162.11 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.51 131.69 34.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.64 113.73 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 1.7 t80 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.534 0.207 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.98 155.2 26.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.8 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -84.57 134.79 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.1 tt -93.7 -55.05 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.8 pt-20 -175.18 136.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -103.25 129.52 50.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -155.02 160.84 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.19 135.68 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 47.0 m -138.99 134.45 33.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.646 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.54 125.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.99 105.38 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.25 155.51 17.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -99.3 -168.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.9 mm? -72.15 -30.75 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.11 11.58 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 t70 74.87 38.03 0.48 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.922 0.391 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.19 135.44 47.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -89.68 135.43 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.184 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.7 tp -60.94 136.43 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.65 162.26 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.626 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.5 mm -113.54 154.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.0 m-20 -122.18 -177.11 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -57.08 -22.06 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.15 24.54 31.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 45.26 32.86 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.466 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -94.64 134.22 25.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 94.87 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 133' ' ' LEU . 3.7 mt -102.16 -178.97 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 10.0 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.39 174.71 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.6 0.238 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 3.6 m-85 -77.95 164.54 25.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 111.278 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.4 mp -88.39 145.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 48' ' ' ILE . 26.3 mm -121.5 117.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -101.38 117.63 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.476 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -88.88 131.56 35.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 71.1 m-85 -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.8 tptp -81.86 116.91 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.56 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.19 112.63 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.6 m -132.43 170.14 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.485 ' CG2' HD13 ' A' ' 100' ' ' ILE . 16.9 p -151.92 121.4 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.91 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.7 p -143.83 123.2 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' HD1' ' A' ' 47' ' ' PHE . 12.1 p -89.56 129.32 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 126.71 49.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.2 t 179.31 -82.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.341 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.83 -30.2 21.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.32 122.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.981 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.52 119.98 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.464 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -136.35 128.71 30.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 m -102.13 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 81' ' ' ILE . 15.3 tp -72.85 121.16 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.464 ' HB3' HG22 ' A' ' 99' ' ' ILE . 8.6 p -132.81 128.13 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.13 103.2 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.78 -97.73 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.919 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -70.23 0.73 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -7.62 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.257 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.92 167.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.581 HG21 HD11 ' A' ' 74' ' ' LEU . 43.2 mm -103.47 137.58 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 p -140.88 140.18 34.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.626 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 10.0 m-85 -93.53 114.24 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -96.79 119.37 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.34 97.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -179.9 137.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.13 150.32 97.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.98 125.1 17.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.498 2.132 . . . . 0.0 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.06 159.7 17.7 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.417 2.078 . . . . 0.0 112.311 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.7 -27.15 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.656 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.68 115.97 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.56 144.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -47.45 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.23 150.7 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.749 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.3 p -79.86 -16.35 55.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.4 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 100.2 4.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.73 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -72.17 -20.41 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.464 HG22 ' HB3' ' A' ' 75' ' ' SER . 3.2 pt -96.34 -28.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 63' ' ' THR . 48.0 mm -58.61 143.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.235 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -130.17 145.05 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.718 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 2.8 m-85 -104.59 99.24 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 5.4 tt0 -87.63 132.73 33.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -139.3 117.58 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -54.02 148.27 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 ' SD ' ' A' ' 150' ' ' MET . 45.4 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 15' ' ' LEU . 23.5 mmmt -72.78 160.65 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.5 mmt -138.56 159.44 42.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 106' ' ' VAL . 5.7 mt-30 -123.08 128.17 49.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.4 m-85 -91.43 117.58 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 14.6 tt0 -119.14 158.73 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.2 t -63.55 144.97 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 29.3 p -59.22 -40.72 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t -60.1 -74.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.95 -169.45 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.72 -173.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 113.79 -37.33 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -139.21 127.5 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.41 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 27.8 m-85 -121.43 145.45 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 137' ' ' ILE . 7.4 mt -70.27 139.13 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -143.42 175.33 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 p -115.41 120.68 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 131.93 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -84.27 98.38 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.98 113.19 25.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 60.59 -115.59 0.68 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.64 17.42 21.33 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 122.384 -0.197 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 29' ' ' LEU . 11.4 mt -135.11 142.86 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.423 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -98.92 100.28 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.042 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.6 169.62 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.404 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.44 ' HG ' HD22 ' A' ' 125' ' ' LEU . 3.9 tp -120.38 130.4 54.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.658 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -141.19 -179.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.7 tp -111.31 110.23 20.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 178.22 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.7 ' HZ2' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -124.01 94.91 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.87 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 149' ' ' ILE . 5.7 mm-40 -65.27 170.56 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -30.78 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.33 126.29 50.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.7 HD21 ' HZ2' ' A' ' 140' ' ' LYS . 12.4 mt -76.54 -20.42 56.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.045 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.2 19.29 53.23 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.092 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -86.37 122.95 31.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.826 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' A' ' 15' ' ' LEU . 1.2 ptt180 -54.53 -27.02 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.7 m -54.38 -29.55 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.572 HG22 ' HB2' ' A' ' 126' ' ' ALA . 19.2 pt -108.26 17.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.784 ' SD ' HG21 ' A' ' 106' ' ' VAL . 9.0 mtt -111.48 143.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.78 165.75 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.32 135.41 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -122.77 127.61 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 161.68 23.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.46 132.59 34.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.24 147.2 9.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tpmt? -84.97 112.91 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.588 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -71.93 -59.39 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.588 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.0 pt-20 -177.3 139.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -111.64 135.38 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 -175.79 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.15 134.87 45.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.0 t -88.42 103.83 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.091 0.472 . . . . 0.0 110.984 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' H ' HD13 ' A' ' 46' ' ' ILE . 50.1 mt -84.53 108.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -108.0 148.34 29.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 5.4 t30 -91.8 -171.1 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.2 mm? -72.54 -23.27 60.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.76 11.55 19.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.354 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.81 31.65 4.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -95.0 -168.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.35 131.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.25 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 30' ' ' PHE . 11.8 tp -72.28 141.05 48.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.42 158.77 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.663 HG23 ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm -90.29 145.24 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.35 -175.03 2.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.28 -19.86 56.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.8 19.56 35.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.799 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.663 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER 55.26 47.58 21.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -113.47 140.95 25.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.997 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.66 95.07 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.527 2.151 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.8 mt -111.03 144.9 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.735 ' CE2' HD13 ' A' ' 20' ' ' LEU . 10.6 m-85 -100.75 123.51 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -143.48 159.84 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.729 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.6 tt . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.411 0.148 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.729 ' N ' HG23 ' A' ' 46' ' ' ILE . 77.5 m-85 -77.94 137.96 38.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 48' ' ' ILE . 2.0 mp -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.63 121.98 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.61 109.34 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.513 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.4 mtm -81.66 125.49 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -97.66 143.05 28.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.0 tptt -71.37 119.79 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.421 -0.271 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG2' HG13 ' A' ' 62' ' ' VAL . 22.9 ttp -94.01 111.09 22.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.96 104.32 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 51' ' ' MET . 28.4 m -130.58 169.72 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.32 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.598 ' CG2' HD13 ' A' ' 100' ' ' ILE . 29.1 p -136.21 122.56 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mt -86.68 130.48 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 p -150.02 135.3 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.57 151.56 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.645 ' HE2' HD13 ' A' ' 71' ' ' ILE . 77.6 mttt -135.13 141.04 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.12 0.486 . . . . 0.0 111.429 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.5 t 177.44 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.169 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.29 -27.15 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.093 0.473 . . . . 0.0 109.918 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.57 122.81 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.989 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.665 HD12 ' ND2' ' A' ' 87' ' ' ASN . 61.7 mt -62.94 120.62 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.14 0.495 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 t -128.49 145.77 51.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.3 m -118.97 149.5 41.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 81' ' ' ILE . 15.6 tp -75.21 104.55 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 115.04 29.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.0 p -92.1 101.55 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.62 -98.85 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -97.97 -73.82 0.6 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -6.71 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.05 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.7 mt -106.91 165.91 4.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 74' ' ' LEU . 44.7 mm -104.63 133.1 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -139.14 136.67 35.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 8.0 m-85 -87.12 122.61 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.13 119.76 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 97.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.34 134.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.665 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.3 m-20 -68.37 145.92 97.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.62 125.57 19.46 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.434 2.089 . . . . 0.0 112.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.01 168.28 6.15 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.395 2.064 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -108.12 -26.49 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.778 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.96 104.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.57 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.3 mt -93.72 147.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.39 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.57 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -97.61 158.05 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -88.98 -7.64 55.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.399 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 100.04 3.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 167.57 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -69.05 -17.37 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.212 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.413 HD12 HG21 ' A' ' 63' ' ' THR . 3.5 pt -99.65 -28.46 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.296 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.598 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.0 mm -57.23 145.29 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 125' ' ' LEU . 39.4 m-85 -137.46 147.32 45.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.32 89.95 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.601 ' CD ' HG21 ' A' ' 153' ' ' VAL . 6.9 tt0 -93.7 111.57 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -123.4 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.44 150.16 40.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.806 HG21 ' SD ' ' A' ' 150' ' ' MET . 33.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 106' ' ' VAL . 0.7 OUTLIER -83.94 163.46 19.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.6 134.61 20.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.393 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.688 ' HG3' HG22 ' A' ' 106' ' ' VAL . 40.3 mt-30 -105.81 141.22 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.654 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.437 ' HB3' HD12 ' A' ' 125' ' ' LEU . 22.5 m-85 -105.14 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -112.51 158.71 19.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -63.87 156.77 26.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -70.83 -43.16 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.8 t -60.58 -75.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.18 -169.73 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.36 -173.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.11 -28.28 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.375 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.437 ' HB3' HD21 ' A' ' 138' ' ' LEU . 24.7 m-85 -136.25 126.55 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 22.0 m-85 -126.15 137.73 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 136' ' ' LEU . 7.9 mt -69.68 115.45 8.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -121.06 170.69 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.5 p -104.3 123.32 47.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 126.03 48.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.45 132.93 35.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.686 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 12.6 mt-10 -145.04 96.21 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 0.0 111.602 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 61.37 -105.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.374 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -110.17 17.46 20.95 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 122.266 -0.271 . . . . 0.0 111.662 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -139.63 151.85 46.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.836 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 129' ' ' LYS . 4.5 m-85 -110.85 100.27 9.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.865 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.607 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -89.87 127.33 35.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 111.426 -179.121 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 125' ' ' LEU . 2.5 tp -76.19 139.65 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.21 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.678 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -105.13 111.0 23.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 18.6 ptmt -142.76 170.52 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.432 ' NZ ' HD21 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -111.67 94.77 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.589 179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.861 ' CD ' HD13 ' A' ' 149' ' ' ILE . 11.0 pm0 -60.49 172.32 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.84 -41.68 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.89 121.88 43.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.38 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.627 ' O ' HD11 ' A' ' 149' ' ' ILE . 5.7 mt -68.03 -21.61 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.77 25.38 25.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.057 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.01 128.12 37.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.27 -30.79 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.424 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 m -52.98 -28.12 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.257 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.861 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.5 pt -105.31 22.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.417 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.806 ' SD ' HG21 ' A' ' 106' ' ' VAL . 26.9 mtt -117.26 163.88 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -148.71 168.02 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.04 127.54 54.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.601 HG21 ' CD ' ' A' ' 103' ' ' GLN . 3.0 t -112.52 114.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.77 162.07 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -89.91 122.71 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.371 . . . . 0.0 110.812 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 8.5 t80 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.541 0.21 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.99 162.11 32.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.776 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -83.4 135.32 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.429 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.46 -57.55 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -165.66 125.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -100.26 126.27 46.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 47' ' ' PHE . 6.4 mt -99.5 124.46 44.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.58 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.3 132.19 51.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.498 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 t -80.99 124.3 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.09 112.05 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.127 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -111.65 168.3 9.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.49 HD22 HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -117.54 -165.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -66.01 -32.68 74.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -90.37 11.61 20.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.321 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 66.67 30.66 8.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -94.91 130.31 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.97 134.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.587 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.5 tp -58.17 128.17 35.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.21 165.44 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.86 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.8 mm -106.93 153.96 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.766 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.53 -179.12 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.27 -21.06 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 21.56 38.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.689 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 88.6 m-20 58.03 30.18 18.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.731 0.3 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.528 ' HB3' HD21 ' A' ' 29' ' ' LEU . 21.0 mtt85 -93.82 143.85 27.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.562 ' C ' HD23 ' A' ' 29' ' ' LEU . 91.4 Cg_endo -79.75 94.96 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.609 2.206 . . . . 0.0 112.351 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 133' ' ' LEU . 2.1 mt -113.65 135.73 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 45.1 m-85 -89.28 127.33 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.77 174.67 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.608 HG23 ' N ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 120.624 0.249 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.608 ' N ' HG23 ' A' ' 46' ' ' ILE . 8.8 m-85 -78.02 163.39 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.983 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.5 mp -83.19 136.33 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -112.5 113.96 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.97 114.41 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.872 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.9 mtm -89.87 127.23 35.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 56.3 m-85 -106.8 156.66 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -95.99 125.77 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.071 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.849 179.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.74 125.54 45.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.04 119.75 32.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.872 HG12 ' HG3' ' A' ' 51' ' ' MET . 35.7 m -138.21 170.7 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 111.589 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -150.42 107.83 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.02 140.53 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.62 128.87 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' CD1' ' A' ' 47' ' ' PHE . 10.7 p -89.35 137.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.867 ' HE2' HD13 ' A' ' 71' ' ' ILE . 31.9 mttt -131.27 138.21 49.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.496 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.96 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.842 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -101.18 -27.33 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.012 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 122.5 1.24 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.306 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.867 HD13 ' HE2' ' A' ' 67' ' ' LYS . 16.7 mt -60.72 110.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.186 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -123.88 138.06 54.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.782 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 m -110.36 146.22 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.4 tp -75.1 114.33 13.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.777 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 p -119.93 137.42 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.43 102.69 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -54.19 -100.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -98.05 -72.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.967 0.413 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.68 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.012 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.8 mt -106.17 164.89 4.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.986 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.4 mm -113.96 146.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.06 141.04 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.86 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.8 m-85 -84.45 111.58 19.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.46 123.47 34.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.08 97.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.42 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -176.66 126.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.763 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.534 ' ND2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -62.89 144.2 96.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -51.52 134.08 45.17 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.532 2.154 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.42 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 65.1 Cg_endo -73.75 168.9 23.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.454 2.103 . . . . 0.0 112.235 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.19 -31.92 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -143.11 94.06 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 17.8 mt -79.53 138.74 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -32.52 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.618 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.529 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -90.3 158.08 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.818 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -20.47 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 100.23 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.423 ' OG ' HG12 ' A' ' 100' ' ' ILE . 4.3 p -92.91 173.79 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 99' ' ' ILE . 17.7 p30 -71.52 -18.71 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 98' ' ' ASP . 17.9 pt -92.4 -30.72 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.618 0.246 . . . . 0.0 111.402 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.423 HG12 ' OG ' ' A' ' 97' ' ' SER . 29.3 mm -59.69 130.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 125' ' ' LEU . 49.3 m-85 -122.74 140.4 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 118' ' ' SER . 2.5 m-85 -100.98 99.56 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.73 ' OE1' HG21 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -85.06 123.72 30.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.658 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 120.72 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -64.41 145.4 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.642 HG11 ' SD ' ' A' ' 150' ' ' MET . 41.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.058 0.456 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -93.33 174.51 7.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.971 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.32 145.54 30.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.516 ' NE2' HD12 ' A' ' 149' ' ' ILE . 8.5 mt-30 -116.42 139.06 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.718 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 3.3 m-85 -101.77 118.97 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -117.55 154.58 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 t -66.05 140.66 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 1.5 t -59.56 -30.69 68.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.9 m -64.0 -73.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 -170.36 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.22 -174.36 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.81 -19.75 52.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.579 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.13 123.29 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 17.1 m-85 -129.83 137.31 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 101' ' ' PHE . 7.1 mt -66.34 108.45 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.762 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.561 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -111.8 179.74 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 22.1 p -119.35 119.9 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.8 129.33 45.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -91.13 113.04 25.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 119.98 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 59.0 -118.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.509 0.195 . . . . 0.0 111.457 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 29' ' ' LEU . 11.2 mt -129.52 157.53 41.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.947 0.403 . . . . 0.0 111.584 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -113.87 99.9 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.82 122.56 30.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.713 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.4 tp -82.35 126.01 31.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.78 -179.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.25 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 81' ' ' ILE . 24.3 tp -106.44 109.67 21.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.561 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 20.2 ptmt -142.82 171.58 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.41 101.01 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.791 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.57 167.26 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -79.96 -30.14 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -125.25 128.45 48.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.642 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.47 -23.27 65.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.58 25.98 20.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.164 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -88.97 120.06 30.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.655 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.2 -24.87 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.454 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.426 ' N ' ' HD2' ' A' ' 147' ' ' ARG . 2.5 m -58.22 -24.09 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.516 HD12 ' NE2' ' A' ' 114' ' ' GLN . 24.5 pt -114.64 15.94 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.469 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.642 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.2 mtt -108.97 128.23 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -118.15 177.84 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.77 129.52 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.73 HG21 ' OE1' ' A' ' 103' ' ' GLN . 17.7 t -116.29 132.97 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.08 161.78 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.75 132.08 34.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.534 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 2.5 t80 . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.629 0.252 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.86 153.65 24.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.712 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -86.01 133.57 33.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -93.44 -56.96 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.3 pt-20 -171.13 142.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 128.49 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -150.63 164.25 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.06 122.09 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -128.23 129.71 46.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 46' ' ' ILE . 21.4 t -81.52 128.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.17 103.18 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.843 ' HG2' HG22 ' A' ' 19' ' ' VAL . 36.4 mtt85 -98.85 157.18 16.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 7.5 t30 -95.29 -165.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.8 mm? -73.21 -29.37 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.75 11.54 22.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.373 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 73.19 32.59 1.26 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -102.31 127.58 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 13' ' ' ARG . 34.3 t -87.2 137.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 30' ' ' PHE . 6.9 tp -62.34 136.99 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -145.8 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.6 mm -96.02 149.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.81 -176.83 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.4 -20.0 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.3 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.59 19.44 39.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.662 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.581 ' HA ' HG23 ' A' ' 22' ' ' ILE . 6.8 t-20 56.37 40.7 29.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -107.22 140.47 21.49 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.1 103.2 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.51 2.14 . . . . 0.0 112.266 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 135' ' ' LYS . 6.8 mt -121.88 138.78 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.643 ' CE2' HD13 ' A' ' 20' ' ' LEU . 77.1 m-85 -83.86 126.46 32.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -133.1 146.84 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.675 0.274 . . . . 0.0 111.121 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.564 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.2 m-85 -77.99 156.67 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.053 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.74 138.14 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.44 HD12 HG13 ' A' ' 64' ' ' ILE . 23.7 mm -110.59 135.06 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -115.27 120.87 41.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.791 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -95.48 129.41 42.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 87.7 m-85 -99.73 158.32 15.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 5' ' ' LEU . 26.3 tptt -88.69 111.77 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 ttp -108.42 111.19 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 109.35 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.791 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.2 m -130.8 167.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.461 ' HG1' ' HE2' ' A' ' 52' ' ' TYR . 1.1 p -142.68 126.02 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.44 HG13 HD12 ' A' ' 49' ' ' ILE . 3.8 mp -91.01 136.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 134.12 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.27 142.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -115.35 132.76 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 t -179.38 -141.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.576 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -46.23 -30.09 1.86 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.163 0.506 . . . . 0.0 110.325 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 124.97 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.054 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -68.64 133.92 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.309 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -137.11 137.69 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.6 m -112.07 134.0 53.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 81' ' ' ILE . 21.7 tp -60.49 110.02 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.425 ' HB3' HG22 ' A' ' 99' ' ' ILE . 10.9 p -122.07 129.6 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.5 p -100.19 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -101.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -98.04 -67.96 0.82 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.454 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -6.75 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.209 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -107.67 165.63 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 138' ' ' LEU . 34.4 mm -111.95 142.04 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -154.21 147.0 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 16.4 m-85 -90.02 109.73 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -90.61 123.83 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.09 98.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 2.3 ptm -176.93 133.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.432 ' O ' ' HE3' ' A' ' 86' ' ' MET . 8.1 p30 -71.05 147.91 94.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 46.9 Cg_exo -55.67 124.96 17.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 38.3 Cg_exo -59.68 172.09 2.33 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.413 2.075 . . . . 0.0 112.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.27 -28.05 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -154.06 82.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 2' ' ' PHE . 48.7 mt -65.25 148.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 37.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.67 153.64 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m -83.97 -12.59 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.382 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 103.03 3.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.86 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.03 -8.82 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.497 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 75' ' ' SER . 21.8 pt -108.44 -27.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.709 0.29 . . . . 0.0 111.441 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' A' ' 97' ' ' SER . 47.8 mm -57.5 140.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.313 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -132.39 116.37 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -79.93 97.21 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.26 132.36 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 117.35 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -64.66 142.66 58.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.814 HG21 ' SD ' ' A' ' 150' ' ' MET . 36.8 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.045 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.913 0.387 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -91.26 173.97 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.19 143.58 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.041 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.539 ' OE1' HG22 ' A' ' 106' ' ' VAL . 33.4 mt-30 -114.07 128.16 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -85.99 109.64 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 2.6 tt0 -104.47 158.74 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -74.73 149.95 39.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.4 p -63.5 -43.0 98.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.4 t -56.2 -75.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.07 -171.36 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 36.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.448 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.77 -4.3 65.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.584 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.424 ' HB3' HD21 ' A' ' 138' ' ' LEU . 5.4 m-85 -150.13 140.6 22.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.757 0.313 . . . . 0.0 110.726 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 16.0 m-85 -134.63 130.84 37.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.055 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.4 mt -61.11 145.74 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 136' ' ' LEU . . . -151.71 174.84 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 132.06 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.39 119.75 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -76.96 103.25 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.0 107.01 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.638 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 60.87 -115.08 0.63 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.579 0.228 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 29' ' ' LEU . 11.5 mt -135.77 142.57 44.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 111.469 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.437 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -99.42 100.29 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.046 179.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -83.87 123.31 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.482 -179.395 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.643 ' HG ' HD22 ' A' ' 125' ' ' LEU . 4.7 tp -82.11 126.52 32.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.685 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -138.44 173.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.5 tp -103.22 122.54 44.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -153.81 -177.61 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.433 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -120.91 95.55 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.529 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.868 ' CD ' HD13 ' A' ' 149' ' ' ILE . 14.0 pm0 -60.06 173.16 0.66 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.87 -34.98 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -125.7 123.84 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.545 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.8 mt -66.31 -23.1 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.04 19.14 54.84 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.351 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -84.45 124.38 31.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.431 ' O ' HD21 ' A' ' 15' ' ' LEU . 16.2 ptt85 -55.83 -26.47 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.301 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.3 m -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.868 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.3 pt -100.44 19.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.816 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.814 ' SD ' HG21 ' A' ' 106' ' ' VAL . 22.0 mtt -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.8 177.54 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.55 130.47 49.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.68 130.85 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -129.46 161.86 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.43 132.14 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.47 159.96 27.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 116.23 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -83.84 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.621 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -177.06 138.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 p -112.22 115.91 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.597 ' HE3' ' HE1' ' A' ' 51' ' ' MET . 0.6 OUTLIER -135.2 -175.83 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 48' ' ' ILE . 18.5 mt -103.48 122.76 45.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.678 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.98 135.32 50.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 t -81.0 143.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.62 110.44 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -118.49 134.25 55.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.356 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -99.47 -165.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 147' ' ' ARG . 1.2 mm? -57.94 -26.62 62.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -87.15 11.6 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.475 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.26 25.73 2.63 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 111.507 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -99.2 134.11 42.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -83.67 129.8 36.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 13.2 tp -60.44 143.2 53.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -156.68 165.09 37.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HA ' ' A' ' 26' ' ' ASN . 14.9 mm -93.27 151.35 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -176.82 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -19.02 63.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -100.73 5.17 56.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' ILE . 7.3 m-80 67.6 46.68 1.31 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.222 0.535 . . . . 0.0 110.184 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.86 147.83 40.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.089 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.35 95.89 1.01 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 27' ' ' ARG . 10.7 mt -121.15 140.84 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 32.7 m-85 -83.81 141.63 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -137.92 148.61 45.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 110.636 -0.135 . . . . 0.0 110.636 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 53.8 m-85 -78.28 163.06 26.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.399 . . . . 0.0 111.065 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 65' ' ' SER . 4.4 mp -96.4 114.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.57 131.05 35.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.99 104.33 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.66 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.0 mtm -81.03 128.21 33.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -102.66 134.28 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -73.32 105.88 4.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.3 ttp -97.97 109.9 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.95 117.64 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.0 m -139.85 169.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.254 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 HD12 ' A' ' 99' ' ' ILE . 2.3 p -147.73 113.41 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.775 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 mt -84.31 127.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.1 p -143.39 139.1 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 HG13 ' A' ' 22' ' ' ILE . 11.8 p -97.28 144.44 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -135.35 137.98 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.178 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -27.5 14.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.964 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.36 123.14 2.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.295 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.49 119.87 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.334 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -133.38 146.35 51.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 m -123.76 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' A' ' 81' ' ' ILE . 7.6 tp -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 p -130.42 143.48 50.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.01 105.4 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.06 -100.0 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.98 -73.85 0.6 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.959 0.409 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.71 -6.72 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.0 mt -105.91 165.48 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.913 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.3 mm -111.39 143.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 p -154.16 151.82 29.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 22' ' ' ILE . 6.6 m-85 -95.33 120.25 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 115.5 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 98.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ptm -176.53 133.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.38 146.13 96.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.5 138.1 48.93 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.422 2.081 . . . . 0.0 112.274 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.74 170.63 19.58 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.25 -41.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.44 103.64 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.657 HG22 ' H ' ' A' ' 94' ' ' ASP . 40.3 mt -86.17 143.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -26.63 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.657 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.1 p30 -84.89 150.95 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -85.97 3.59 41.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.297 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.74 102.08 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.71 171.45 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -74.01 -21.33 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.805 HD12 HG21 ' A' ' 63' ' ' THR . 2.6 pt -94.88 -28.41 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 92' ' ' ILE . 38.4 mm -60.91 133.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CE2' HD23 ' A' ' 74' ' ' LEU . 63.8 m-85 -129.52 143.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 18.0 m-85 -108.73 103.07 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -85.83 137.81 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -142.11 120.85 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.38 159.66 6.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 150' ' ' MET . 38.4 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.8 0.333 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -103.89 165.52 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.2 154.45 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.025 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -123.89 132.17 53.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.496 ' HB3' HD12 ' A' ' 125' ' ' LEU . 11.7 m-85 -90.74 115.62 27.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -108.19 158.28 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 153.51 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 83.0 p -65.18 -40.86 94.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.008 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -56.44 -67.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.68 -171.57 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.49 37.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.347 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.67 66.63 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -150.18 138.54 20.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.45 138.06 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.6 mt -69.3 114.99 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.45 -178.41 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.9 p -122.22 124.25 43.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.52 ' HG3' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -98.97 127.43 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.91 101.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.83 110.29 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 60.71 -115.81 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -109.65 17.51 21.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.556 0.217 . . . . 0.0 111.28 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 29' ' ' LEU . 11.6 mt -132.05 141.48 49.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.082 0.468 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.44 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 m-85 -99.19 100.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.819 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.466 ' HG3' HD22 ' A' ' 29' ' ' LEU . 2.3 mttt -81.82 156.38 24.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.35 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HG ' HD22 ' A' ' 125' ' ' LEU . 13.1 tp -99.47 124.82 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.801 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.6 pt -129.38 -179.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.37 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.913 ' HB2' HD11 ' A' ' 81' ' ' ILE . 6.4 tp -129.81 112.55 13.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -154.73 176.15 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.68 99.57 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.854 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.5 pm0 -60.28 175.22 0.45 Allowed 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.91 -38.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.81 126.1 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.7 mt -65.51 -24.76 67.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.94 26.45 22.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.4 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.66 129.35 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.821 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.72 -29.7 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 p -53.91 -32.03 52.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.854 HD13 ' CD ' ' A' ' 141' ' ' GLU . 6.3 pt -106.81 24.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.439 ' SD ' HG11 ' A' ' 106' ' ' VAL . 17.5 mtt -117.61 137.44 52.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -131.6 164.65 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 138.81 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.774 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.93 140.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 161.73 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -90.42 132.78 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.468 0.175 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.82 174.42 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.935 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -94.68 132.67 39.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -92.57 -56.52 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.1 pt-20 -172.12 136.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.65 120.63 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -147.59 169.62 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 47' ' ' PHE . 10.1 mt -89.98 138.86 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.711 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -141.67 141.03 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.32 123.23 39.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 19' ' ' VAL . 40.6 mt -110.39 114.26 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 3.3 mtt180 -113.01 159.04 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' CZ ' ' A' ' 30' ' ' PHE . 2.5 t30 -99.16 -163.94 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.0 mm? -75.45 -29.02 59.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -89.96 11.62 19.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.36 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 72.37 25.45 2.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -101.63 123.8 46.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.8 p -80.08 150.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.301 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 15.1 tp -74.13 138.0 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.21 155.62 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.658 HG23 ' HA ' ' A' ' 26' ' ' ASN . 10.3 mm -92.33 144.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -107.13 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.25 -24.16 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.72 33.42 6.07 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.401 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.658 ' HA ' HG23 ' A' ' 22' ' ' ILE . 5.3 p-10 45.48 44.33 9.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 111.364 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -103.51 134.21 19.88 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.29 95.02 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.421 2.081 . . . . 0.0 112.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 135' ' ' LYS . 5.3 mt -111.44 152.87 26.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 52.0 m-85 -103.66 133.18 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.38 172.91 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.195 0 CA-C-O 120.65 0.262 . . . . 0.0 110.788 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.855 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.6 166.23 23.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.047 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -84.05 148.22 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.377 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 48' ' ' ILE . 12.7 mm -121.14 112.82 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.68 107.11 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.819 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.2 mtm -82.62 127.64 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 11.1 m-85 -101.91 157.78 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -84.03 115.37 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 5.1 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.534 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.249 0 CA-C-O 120.75 0.084 . . . . 0.0 113.026 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm -111.39 118.32 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.667 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -80.83 125.7 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.267 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.819 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.0 m -144.26 169.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 100' ' ' ILE . 81.9 p -144.63 115.47 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.19 135.13 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 139.26 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.183 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.4 136.0 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 0.0 111.443 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -179.51 -85.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.891 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -93.5 -24.07 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.188 0.518 . . . . 0.0 109.667 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -157.93 127.72 6.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.848 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.37 117.81 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 111.312 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -128.57 143.76 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -126.5 135.81 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 81' ' ' ILE . 41.0 tp -65.02 124.49 22.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -134.06 139.86 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -114.39 102.54 10.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.81 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -98.07 -72.74 0.64 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.895 0.379 . . . . 0.0 110.478 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -122.48 -6.69 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.999 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -106.89 165.65 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.066 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 138' ' ' LEU . 40.7 mm -111.92 145.36 18.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -158.0 141.13 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -87.93 113.77 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.96 123.74 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.17 97.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE2' HD13 ' A' ' 99' ' ' ILE . 1.6 ptm 179.93 138.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -71.79 149.19 92.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.83 135.47 41.48 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.67 161.56 30.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.415 2.077 . . . . 0.0 112.408 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.17 -31.18 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -146.15 125.82 13.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mt -106.22 147.26 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 29.64 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -140.74 156.28 46.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -7.35 56.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.35 104.22 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.413 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 169.61 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -76.9 -24.37 52.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.7 pt -92.65 -30.8 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.275 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.539 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.5 mm -59.38 134.1 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.276 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 125' ' ' LEU . 30.4 m-85 -122.52 151.91 40.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.8 m-85 -111.02 92.08 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.39 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.736 ' OE1' HG21 ' A' ' 153' ' ' VAL . 8.1 tt0 -93.33 115.99 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.331 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.534 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpt180 -126.22 146.6 49.92 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.17 155.92 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.801 HG21 ' SD ' ' A' ' 150' ' ' MET . 47.2 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -78.47 162.56 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.438 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 8.2 mmt -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.92 129.04 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 125' ' ' LEU . 7.4 m-85 -90.06 118.89 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 9.4 tt0 -119.44 158.78 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -62.72 147.56 49.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 86.4 p -58.35 -43.78 88.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 t -58.58 -76.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.02 -167.42 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.5 -174.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.15 -33.76 5.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -135.09 121.12 19.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 10.9 m-85 -119.69 137.33 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.9 mt -68.87 119.66 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -124.56 172.7 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 19.4 p -105.82 126.42 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.401 ' HB2' HG12 ' A' ' 137' ' ' ILE . 2.7 tt0 -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.01 96.33 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.823 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -105.62 99.18 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 61.78 -110.64 0.4 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.68 17.4 21.33 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.504 0.193 . . . . 0.0 111.378 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.13 142.53 44.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.002 0.429 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.465 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 36.3 m-85 -96.88 101.57 13.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.096 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.401 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -90.94 128.83 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.89 146.79 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.842 ' O ' HD23 ' A' ' 125' ' ' LEU . 2.0 pt -155.43 -179.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.773 ' HB2' HD11 ' A' ' 81' ' ' ILE . 7.5 tp -126.34 114.98 18.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -151.97 -176.95 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.48 99.2 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.691 ' HG3' HG23 ' A' ' 149' ' ' ILE . 36.6 mm-40 -62.66 178.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.88 -28.63 39.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.48 125.27 36.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.38 -26.17 68.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.3 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.17 123.45 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -27.28 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.7 m -54.6 -30.19 53.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.817 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.743 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.6 pt -105.66 16.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.801 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtt -111.42 153.18 26.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 5.6 m-85 -138.93 177.83 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.3 140.31 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.736 HG21 ' OE1' ' A' ' 103' ' ' GLN . 10.5 t -124.32 139.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -136.44 161.81 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.748 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.29 133.04 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.551 ' HD2' HD12 ' A' ' 92' ' ' ILE . 1.5 t80 . . . . . 0 CA--C 1.529 0.166 0 CA-C-O 120.493 0.187 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.7 -179.19 29.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.996 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 50' ' ' SER . 0.0 OUTLIER -100.12 133.07 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.036 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.38 -52.18 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 142.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 132.3 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -152.18 176.68 11.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -96.9 130.37 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -134.17 135.33 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.509 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.41 126.06 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -106.2 117.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.757 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 29.1 p-10 -91.88 -171.41 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 150' ' ' MET . 3.3 mm? -68.26 -20.31 64.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.95 11.46 18.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.497 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 63.75 28.32 14.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.379 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -109.61 144.73 37.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.28 149.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.925 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.1 tp -77.61 144.94 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 29' ' ' LEU . 6.1 p90 -156.53 152.19 27.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.91 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 11.1 mm -89.08 143.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.01 -179.28 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.69 -20.5 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.07 21.32 31.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.647 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.7 m-20 57.25 50.11 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -115.96 139.5 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.476 ' O ' HD23 ' A' ' 29' ' ' LEU . 86.9 Cg_endo -78.16 108.59 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.2 mt -123.67 155.82 37.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.925 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 57.0 m-85 -114.62 123.78 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -149.21 172.09 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.506 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.548 0.213 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.4 m-85 -78.22 165.29 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.998 0.428 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.9 mp -95.66 129.75 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.6 mm -100.72 117.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 1.3 m -103.37 121.25 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.824 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.3 mtm -96.33 133.63 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 92' ' ' ILE . 4.8 m-85 -103.88 151.78 22.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -85.42 123.16 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.963 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 ttp -85.64 109.31 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.18 99.7 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.824 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.5 m -129.15 167.45 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 100' ' ' ILE . 55.7 p -146.41 128.5 15.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.92 122.92 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.684 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 p -127.66 132.75 49.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 111.274 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 66' ' ' VAL . 12.4 p -101.62 124.14 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HG2' HG23 ' A' ' 71' ' ' ILE . 31.1 mtpt -116.49 138.53 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 111.346 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.14 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.217 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' C ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -90.82 -35.39 14.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -148.45 126.14 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.132 179.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.795 HG21 ' OD1' ' A' ' 87' ' ' ASN . 18.8 mt -64.08 116.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.0 t -127.74 156.88 41.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 m -130.91 143.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.75 109.33 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 135.08 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.147 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.6 p -102.67 101.7 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -157.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -41.58 -30.06 0.2 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 81' ' ' ILE . 15.1 mt -74.89 159.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.2 mm -103.41 127.49 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.0 m -145.56 149.32 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.057 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 13.7 m-85 -92.19 117.48 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.713 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.67 134.17 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.61 106.34 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.9 ptm -178.15 118.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.795 ' OD1' HG21 ' A' ' 71' ' ' ILE . 6.8 t30 -63.07 149.52 90.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.59 128.59 30.05 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.518 2.145 . . . . 0.0 112.184 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.99 158.19 53.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.394 2.063 . . . . 0.0 112.284 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -93.13 -33.39 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -143.96 93.84 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 94' ' ' ASP . 25.3 mt -75.27 123.88 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -26.98 57.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -108.59 158.08 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.1 m -82.62 -19.16 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 101.79 5.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 163.28 13.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.789 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -64.84 -21.78 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 pt -93.65 -30.09 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 92' ' ' ILE . 40.7 mm -58.69 142.3 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 125' ' ' LEU . 32.2 m-85 -131.1 148.6 52.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.2 m-85 -107.11 99.57 9.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 31.1 tt0 -92.38 129.76 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.243 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.23 149.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.661 HG21 ' SD ' ' A' ' 150' ' ' MET . 38.7 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.929 0.395 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 152' ' ' THR . 14.4 mmmm -101.01 164.92 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.0 mmt -126.74 151.8 47.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -117.65 122.65 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.434 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 9.7 m-85 -95.48 113.48 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.2 tt0 -115.63 158.86 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.947 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 1.1 p -57.32 -28.4 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -160.63 91.08 0.89 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.516 0.198 . . . . 0.0 111.071 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 120' ' ' TYR . 8.8 pt-20 44.75 -173.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.248 0.547 . . . . 0.0 111.692 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.46 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.521 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -133.81 120.11 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 8.0 m-85 -107.5 155.89 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -79.85 110.57 15.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.15 175.1 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.78 117.72 31.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' A' ' 137' ' ' ILE . 5.6 tt0 -92.3 127.46 37.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -84.11 94.23 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.25 104.7 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.809 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 61.49 -112.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.575 0.226 . . . . 0.0 111.225 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.42 142.91 47.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 111.303 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -98.86 100.39 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.259 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.455 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.1 mttt -88.07 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.568 HD11 HD22 ' A' ' 125' ' ' LEU . 23.0 tp -68.8 145.08 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.807 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.1 pt -151.24 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.878 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.4 tp -133.57 115.44 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -156.72 173.67 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.56 95.76 8.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.85 ' CD ' HD13 ' A' ' 149' ' ' ILE . 5.2 pm0 -60.48 172.87 0.79 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.02 -37.11 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.92 124.31 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.686 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 140' ' ' LYS . 20.2 mt -68.86 -23.41 64.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.237 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.92 21.05 45.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.42 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 127.75 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.975 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -27.87 61.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -29.2 38.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.85 HD13 ' CD ' ' A' ' 141' ' ' GLU . 3.1 pt -108.04 22.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.238 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.661 ' SD ' HG21 ' A' ' 106' ' ' VAL . 25.7 mtt -113.38 148.22 36.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.86 161.85 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.407 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -118.64 126.18 51.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -117.63 133.6 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -123.72 161.63 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.75 131.46 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.763 0.316 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.45 145.65 13.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -77.52 125.27 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.4 tt -84.21 -55.73 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.6 pt-20 -175.96 143.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -111.01 114.5 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HZ1' ' HA ' ' A' ' 155' ' ' ASN . 1.3 pttp -134.93 -175.85 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.58 127.0 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.663 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.2 134.29 47.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.439 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.1 134.49 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.132 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -119.14 114.45 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.169 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -112.51 160.87 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 9.7 t30 -106.68 -170.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.6 mm? -66.4 -29.05 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.62 11.57 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 68.4 30.46 5.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -104.89 141.16 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.2 t -84.46 140.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 30' ' ' PHE . 15.8 tp -66.53 136.45 55.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.59 156.17 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.5 mm -100.46 153.5 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.96 -178.76 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.08 -20.37 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.37 19.95 38.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.719 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 4.0 m-80 58.56 30.78 20.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -93.38 132.35 30.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.13 94.93 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.551 2.167 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 133' ' ' LEU . 3.4 mt -113.47 136.84 52.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 20' ' ' LEU . 61.2 m-85 -83.9 145.19 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.024 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -148.62 167.24 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.663 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' HG23 ' A' ' 46' ' ' ILE . 20.1 m-85 -78.24 157.29 29.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.8 mp -86.76 137.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG13 ' A' ' 64' ' ' ILE . 23.0 mm -114.17 124.52 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.075 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.37 107.48 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.687 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.07 129.37 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -98.59 147.89 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 5' ' ' LEU . 8.8 tptt -82.78 123.29 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.367 -0.293 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -103.79 103.91 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 116.01 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.687 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.6 m -132.66 170.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.61 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.556 ' CG2' HD13 ' A' ' 100' ' ' ILE . 59.4 p -146.34 104.36 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.644 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.596 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -77.8 136.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.024 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.25 142.86 22.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.8 p -98.33 138.81 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.64 133.75 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.51 . . . . 0.0 111.31 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.65 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.11 -28.46 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.164 0.507 . . . . 0.0 109.89 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -158.68 126.22 5.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.128 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.1 118.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 0.0 111.387 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -131.82 152.25 51.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 64' ' ' ILE . 21.1 m -127.08 141.73 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.57 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.8 tp -68.06 100.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.86 127.32 43.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.481 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 p -102.81 101.35 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -44.32 -69.1 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.434 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -131.07 -6.65 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.787 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 81' ' ' ILE . 4.8 mt -102.98 163.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.973 0.416 . . . . 0.0 111.308 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.7 mm -120.62 139.71 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -159.01 144.57 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.941 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.0 m-85 -81.7 109.1 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -91.28 120.89 32.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.93 97.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE1' HD13 ' A' ' 99' ' ' ILE . 1.2 ptm -171.11 141.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -80.93 142.79 52.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.599 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.25 127.77 23.19 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.478 2.119 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.15 161.17 43.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.067 . . . . 0.0 112.248 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -39.86 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.85 111.51 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.44 HG21 ' OG ' ' A' ' 97' ' ' SER . 21.5 mt -88.68 136.3 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -41.95 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.07 155.52 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 -22.82 42.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 100.12 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.44 ' OG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -92.85 160.98 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.43 -19.88 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE1' ' A' ' 86' ' ' MET . 27.0 pt -95.58 -13.88 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.463 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' CG2' ' A' ' 63' ' ' THR . 38.6 mm -81.64 137.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -131.41 141.71 49.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -95.85 102.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.496 ' NE2' HG21 ' A' ' 153' ' ' VAL . 13.7 tt0 -87.16 131.25 34.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.94 117.23 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 p -57.5 161.63 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.714 HG21 ' SD ' ' A' ' 150' ' ' MET . 43.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.897 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.033 0.444 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -85.21 166.39 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.7 mmt -137.14 158.01 45.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.05 133.78 51.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 44.5 m-85 -102.61 110.91 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 16.3 tt0 -102.95 157.64 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.07 136.06 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.5 p -56.48 -38.63 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.24 -66.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -157.41 -168.04 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 25.47 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.45 -21.29 72.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -149.94 163.62 37.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.774 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 37.5 m-85 -141.34 143.21 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 136' ' ' LEU . 1.8 mt -67.06 123.0 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.527 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -135.0 162.83 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.43 134.23 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -113.38 129.89 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.447 ' CG ' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -78.44 116.56 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.411 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 5.0 mt-10 -117.8 87.74 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.173 0.511 . . . . 0.0 111.522 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 63.78 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.721 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.29 -9.06 14.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 29' ' ' LEU . 10.2 mt -119.57 138.81 52.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.968 0.413 . . . . 0.0 112.019 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.447 ' CE2' ' CG ' ' A' ' 129' ' ' LYS . 7.6 m-85 -98.25 100.29 11.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.652 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -83.72 170.77 13.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.969 0.414 . . . . 0.0 111.435 -178.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 125' ' ' LEU . 3.5 tp -128.72 133.75 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.838 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.422 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -144.91 178.18 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.098 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 81' ' ' ILE . 10.8 tp -107.38 112.52 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -146.36 176.76 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 111.177 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.431 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -116.34 94.79 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.655 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.862 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.6 pm0 -60.47 178.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -33.46 21.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.91 123.62 40.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.468 ' O ' HD11 ' A' ' 149' ' ' ILE . 9.0 mt -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.78 23.41 34.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.235 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.55 126.84 36.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -29.22 57.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -53.86 -27.41 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.862 HD13 ' CD ' ' A' ' 141' ' ' GLU . 8.7 pt -110.3 22.2 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.714 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtm -120.91 133.71 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.95 177.83 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 136.38 54.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.496 HG21 ' NE2' ' A' ' 103' ' ' GLN . 13.4 t -132.04 127.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.37 161.83 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . 0.458 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.5 m-20 -84.14 130.27 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.835 0.35 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.27 159.54 22.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -85.67 108.56 18.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.611 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -68.93 -59.0 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.4 pt-20 -176.5 124.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 114.59 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HG2' ' HE3' ' A' ' 51' ' ' MET . 3.0 pttm -147.0 -175.85 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.79 131.57 49.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.568 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -132.14 136.8 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.542 179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.26 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.118 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -107.76 116.77 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -117.16 155.1 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.98 -176.51 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.34 12.24 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.29 21.6 6.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.984 0.421 . . . . 0.0 111.536 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.89 -169.99 2.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.31 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.43 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.905 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 17.1 tp -66.52 132.66 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.88 158.79 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE1' ' A' ' 83' ' ' PHE . 8.0 mm -105.47 149.83 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.92 -179.19 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.44 -23.04 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.33 28.49 15.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.588 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.2 p-10 45.37 30.59 0.72 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 111.519 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -90.83 136.3 27.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.77 96.8 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.492 2.128 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.4 mt -114.64 148.19 38.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 24.5 m-85 -103.14 128.59 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -153.92 156.15 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.533 0.206 . . . . 0.0 110.628 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 66' ' ' VAL . 8.4 m-85 -78.05 152.75 32.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.855 HD13 ' HE2' ' A' ' 67' ' ' LYS . 4.7 mp -75.15 135.03 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 64' ' ' ILE . 26.2 mm -114.92 119.82 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -102.12 113.68 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.821 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.4 mtm -87.98 122.78 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 51.3 m-85 -98.05 136.93 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 5' ' ' LEU . 27.6 tptt -75.98 121.07 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.6 t0 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.768 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.492 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.735 -0.146 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.5 ttp -93.56 120.64 34.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 119.46 22.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.821 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.7 m -139.84 170.55 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.36 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.9 p -148.98 119.21 7.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 49' ' ' ILE . 3.1 mt -87.67 129.29 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -139.58 126.79 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.06 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.558 HG23 ' CD1' ' A' ' 47' ' ' PHE . 11.2 p -89.35 140.44 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.855 ' HE2' HD13 ' A' ' 48' ' ' ILE . 11.9 mttm -134.38 138.49 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.465 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t 178.48 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.097 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -96.79 -27.81 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -163.81 126.77 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.12 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.636 HD13 ' NZ ' ' A' ' 67' ' ' LYS . 19.7 mt -61.96 125.03 17.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -137.95 127.92 25.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.781 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -105.6 140.11 39.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.678 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.1 tp -68.6 113.36 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.22 127.88 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.75 101.44 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.462 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -64.59 -155.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -42.0 -30.97 0.3 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.611 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 -32.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.462 HD12 ' OE2' ' A' ' 77' ' ' GLU . 7.8 mt -79.17 145.16 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.891 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.5 mm -95.87 138.8 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 71.1 m -156.34 139.09 15.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 22' ' ' ILE . 31.5 m-85 -81.36 105.77 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -85.56 123.01 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.29 98.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -173.84 133.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.38 132.83 94.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 135.06 59.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.395 2.063 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.07 176.61 9.91 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.96 -37.27 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -134.87 97.13 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.4 mt -81.91 122.28 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -17.86 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 92' ' ' ILE . 70.8 m-20 -99.41 158.14 15.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.781 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -3.73 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.431 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.74 99.71 1.87 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.861 0.363 . . . . 0.0 111.335 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -93.31 151.6 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.01 -25.66 58.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.943 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 pt -87.33 -30.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.7 mm -61.25 129.09 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -123.93 150.18 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.27 97.19 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.756 ' OE1' HG21 ' A' ' 153' ' ' VAL . 36.0 tt0 -96.01 112.62 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.1 tpt85 -128.09 148.12 50.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 111.146 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.409 ' CB ' ' HE1' ' A' ' 113' ' ' MET . 0.2 OUTLIER -63.28 155.89 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 179.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.19 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -90.0 161.67 15.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.409 ' HE1' ' CB ' ' A' ' 105' ' ' SER . 14.0 mmt -127.01 164.98 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.976 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.2 tt0 -136.05 128.17 29.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 9.0 m-85 -92.4 115.31 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 21.6 tt0 -112.35 157.03 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.36 145.32 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.0 p -64.43 -43.19 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -68.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -158.09 -178.01 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -175.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.4 -25.63 26.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.408 ' HB3' HD21 ' A' ' 138' ' ' LEU . 16.4 m-85 -131.33 115.32 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 114' ' ' GLN . 23.2 m-85 -118.88 142.58 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.6 mt -68.29 117.51 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.667 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -125.89 176.84 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.275 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.4 p -111.07 131.15 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.68 135.64 50.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 98.86 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.77 103.23 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 61.45 -114.01 0.54 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -109.59 17.47 21.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.651 0.262 . . . . 0.0 111.035 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -129.01 143.58 50.91 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.063 0.459 . . . . 0.0 111.56 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.97 100.26 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.847 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.569 ' HG3' HD22 ' A' ' 29' ' ' LEU . 5.6 mttt -89.08 168.89 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.354 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.472 ' CG ' HD22 ' A' ' 125' ' ' LEU . 2.1 tp -121.66 126.23 48.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.739 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.518 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.08 -179.98 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.891 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.0 tp -109.28 110.77 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 110.605 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -150.01 179.08 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 103.88 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.668 ' HG3' HG23 ' A' ' 149' ' ' ILE . 4.5 mm-40 -60.43 175.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -29.25 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -124.91 123.95 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.63 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.37 -26.23 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.46 26.78 18.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.313 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -86.63 120.64 28.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.721 0.296 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.6 -24.66 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -30.96 61.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.924 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.668 HG23 ' HG3' ' A' ' 141' ' ' GLU . 13.7 pt -101.6 13.01 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.1 mtt -106.62 141.71 37.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.48 159.54 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.79 124.83 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.64 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.756 HG21 ' OE1' ' A' ' 103' ' ' GLN . 6.9 t -118.18 129.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 161.83 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -80.53 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 2.9 t80 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.96 171.46 36.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.892 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -84.57 138.26 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.1 tt -98.5 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.3 pt-20 -167.45 142.49 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.68 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.86 -178.8 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 mt -109.32 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.013 0.435 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -128.07 138.97 52.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.471 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.99 123.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 46' ' ' ILE . 77.4 mt -102.47 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -105.36 153.48 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.777 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.421 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 7.9 t30 -103.51 -168.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -71.16 -27.42 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.5 11.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.342 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 68.9 31.33 4.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -105.83 143.24 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.81 138.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 11.4 tp -57.9 146.45 32.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -151.99 160.68 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 83' ' ' PHE . 8.7 mm -105.04 154.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.25 177.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -22.91 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.212 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.67 27.66 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 45.5 44.59 9.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.373 . . . . 0.0 111.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -107.19 137.96 19.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.488 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.1 Cg_endo -75.1 94.93 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.423 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.618 HD22 ' HG3' ' A' ' 135' ' ' LYS . 0.9 OUTLIER -110.97 140.79 45.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 21.0 m-85 -89.53 123.58 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.46 151.77 51.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.635 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.523 0.201 . . . . 0.0 110.589 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 46' ' ' ILE . 21.7 m-85 -78.31 161.46 27.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.828 0.347 . . . . 0.0 110.967 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.9 mp -91.37 132.97 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mm -105.99 114.29 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.83 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.839 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -89.87 129.61 36.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 92' ' ' ILE . 20.8 m-85 -100.25 154.05 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 111.04 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 5' ' ' LEU . 4.5 tptt -88.61 117.8 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.4 -0.28 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.15 105.94 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.88 98.87 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.839 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.3 m -123.34 170.61 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.579 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.1 p -138.92 121.48 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.747 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.608 HD11 ' CE2' ' A' ' 115' ' ' PHE . 3.3 mt -86.99 121.1 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.849 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 p -132.22 138.53 47.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' SER . 11.6 p -104.34 131.51 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -126.62 136.96 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.286 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.87 -80.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -96.64 -26.98 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.066 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 123.07 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.03 122.1 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -138.6 124.56 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.7 m -100.79 141.9 33.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' A' ' 81' ' ' ILE . 40.0 tp -73.27 104.98 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 130.27 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 p -99.93 101.42 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.444 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -66.95 -152.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.425 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.77 -72.12 0.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.665 0.269 . . . . 0.0 111.425 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -6.67 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.7 mt -103.03 159.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.409 . . . . 0.0 111.364 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 74' ' ' LEU . 33.1 mm -112.92 135.38 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.74 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m -155.31 147.49 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -87.72 114.44 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.51 124.03 38.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.05 99.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.6 ptm -177.82 137.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -76.72 155.08 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.49 130.78 31.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.483 2.122 . . . . 0.0 112.052 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.22 161.87 20.19 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.524 2.149 . . . . 0.0 112.674 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -88.71 -40.42 13.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.442 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 129.27 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 50.2 mt -115.04 -10.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.29 29.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 111.4 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.63 137.07 16.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.6 p -80.61 4.01 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 99.82 1.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.986 0.422 . . . . 0.0 111.564 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.427 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.32 173.82 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.637 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.91 -1.07 46.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.418 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 pt -115.71 -27.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.722 0.296 . . . . 0.0 111.423 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.1 mm -57.26 142.64 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.527 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 4.8 m-85 -133.59 126.47 31.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.671 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 118' ' ' SER . 1.9 m-85 -85.81 95.61 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.334 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.405 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 8.0 tt0 -95.53 121.97 37.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 143.38 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.561 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -59.8 144.76 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.462 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 150' ' ' MET . 18.7 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.878 0.37 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HD2' HG23 ' A' ' 152' ' ' THR . 30.0 mmmt -81.02 157.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.8 mmt -129.32 156.65 43.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.97 139.44 53.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.0 m-85 -99.53 123.01 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 tt0 -118.69 158.68 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.61 131.61 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.454 ' HA ' ' CD2' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -55.68 -35.23 65.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 62.9 m -59.96 -71.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 119' ' ' SER . 57.6 m-85 -159.92 -179.18 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.74 -173.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.57 -28.31 16.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -129.36 126.74 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 19.2 m-85 -127.77 137.74 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.1 mt -67.98 115.0 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.0 176.09 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.62 129.22 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.58 127.96 55.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.04 95.29 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.6 105.75 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 59.42 -111.72 0.55 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.756 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.61 17.64 21.12 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.666 0.27 . . . . 0.0 111.26 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' LEU . 5.9 mt -138.57 137.15 36.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.67 100.18 13.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.618 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.6 mttt -89.61 130.8 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.403 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 125' ' ' LEU . 1.9 tp -84.37 126.41 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.586 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.44 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -132.83 175.56 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 111.108 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 81' ' ' ILE . 15.3 tp -104.07 111.01 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.473 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -145.06 171.64 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 96.51 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.859 ' CD ' HD13 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -62.85 170.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -79.9 -48.88 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.462 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -106.49 123.6 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.699 HD23 ' N ' ' A' ' 144' ' ' LEU . 1.2 mt -68.16 -24.34 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.08 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.26 25.09 27.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.29 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.4 132.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -29.09 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.01 -27.24 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.859 HD13 ' CD ' ' A' ' 141' ' ' GLU . 5.4 pt -113.7 21.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 106' ' ' VAL . 10.4 mtt -116.83 125.68 51.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' CD1' ' A' ' 151' ' ' PHE . 3.9 m-85 -113.95 164.66 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -116.31 130.64 56.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.3 t -123.7 125.49 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.03 161.91 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.719 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -84.96 129.79 34.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.791 0.329 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.41 147.35 18.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -88.19 116.28 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -74.85 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.4 pt-20 -177.46 145.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 t -107.27 134.37 50.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -148.87 166.04 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -88.29 140.79 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.656 ' O ' HG21 ' A' ' 46' ' ' ILE . 2.0 p -139.77 142.76 36.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.62 103.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.5 mt -88.51 107.66 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -116.31 169.19 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.45 -164.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.8 mm? -74.14 -28.51 61.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.87 11.53 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.427 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.38 39.71 2.17 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -110.04 129.9 55.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.91 147.43 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -75.81 151.99 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -156.78 163.17 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.617 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.3 mm -97.0 153.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.16 179.28 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.27 -19.11 61.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.19 16.38 49.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.855 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 57.91 44.6 19.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.11 141.51 26.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' C ' HD23 ' A' ' 29' ' ' LEU . 74.4 Cg_endo -75.29 97.77 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.2 mt -116.0 134.87 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 96.4 m-85 -84.34 161.44 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.1 149.43 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.746 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.7 tt . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 120.464 0.173 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 46' ' ' ILE . 76.3 m-85 -77.9 159.49 28.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.703 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -101.02 125.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.7 mm -98.46 129.33 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.29 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -111.12 107.3 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.8 mtm -80.98 125.93 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -94.37 146.48 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 5' ' ' LEU . 3.2 tptm -91.67 108.42 19.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.397 -0.281 . . . . 0.0 112.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.1 ttp -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.98 101.63 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' MET . 27.4 m -129.05 170.41 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.307 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 100' ' ' ILE . 80.5 p -142.81 129.07 19.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HE2' ' A' ' 115' ' ' PHE . 2.9 mp -96.43 123.71 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 141.31 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.29 143.62 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -136.57 141.34 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.036 0.446 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -82.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.206 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -95.49 -27.11 15.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 109.996 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 122.72 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.165 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.81 132.17 32.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 t -145.8 153.64 41.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -129.49 139.59 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD11 ' CG2' ' A' ' 81' ' ' ILE . 20.5 tp -70.34 115.36 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -123.08 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 21.9 p -109.2 101.97 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.64 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -97.88 -72.13 0.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -6.58 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.6 mt -107.47 166.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.2 mm -113.54 143.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -156.72 142.19 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -83.02 113.39 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -95.1 127.93 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.31 98.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.5 ptm -173.11 131.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -71.91 145.66 89.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.23 127.34 24.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.161 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 72.5 Cg_endo -76.63 161.05 34.36 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.433 2.088 . . . . 0.0 112.404 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.87 -30.85 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -150.63 105.39 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 94' ' ' ASP . 14.5 mt -83.51 151.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.068 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -78.94 -32.23 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.371 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 92' ' ' ILE . 13.0 m-20 -98.27 154.17 17.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 m -80.04 -11.47 59.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 100.13 3.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.818 0.342 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.418 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 157.0 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -62.8 -21.37 65.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 pt -92.95 -30.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.292 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.9 mm -59.34 132.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.31 144.1 51.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.6 m-85 -101.97 96.31 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.834 ' NE2' HG21 ' A' ' 153' ' ' VAL . 2.7 tp-100 -82.3 130.82 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.06 27.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.4 OUTLIER -63.33 146.66 53.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.453 HG11 ' SD ' ' A' ' 150' ' ' MET . 42.0 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.841 0.353 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.736 ' HD2' HG23 ' A' ' 152' ' ' THR . 1.7 mmmm -95.51 170.38 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.405 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.4 OUTLIER -150.33 154.9 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -120.38 136.64 54.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.719 ' HE2' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -95.9 108.1 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -104.89 157.62 17.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.07 153.55 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 2.4 p -71.25 -39.25 71.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 4.9 t -65.48 -67.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 119' ' ' SER . 85.6 m-85 -159.37 -177.66 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.92 -174.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.31 -25.41 15.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.634 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.16 141.21 40.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.802 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 24.3 m-85 -136.64 135.89 38.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 137' ' ' ILE . 3.1 mt -68.2 108.96 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.384 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -111.71 178.65 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.194 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.0 p -112.81 153.46 27.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -139.58 129.53 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.454 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.94 96.93 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.781 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 107.08 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 60.88 -112.4 0.51 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.79 17.7 20.95 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 122.345 -0.222 . . . . 0.0 111.486 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 29' ' ' LEU . 8.0 mt -137.96 144.57 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.675 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.454 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 58.8 m-85 -97.21 101.16 12.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.047 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.2 mttt -89.06 144.43 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.355 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.708 ' HG ' HD22 ' A' ' 125' ' ' LEU . 2.7 tp -100.81 128.49 46.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.737 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -135.04 176.27 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.771 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.6 tp -106.63 113.19 26.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.481 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -152.75 -179.58 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.178 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 127.63 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.586 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 143' ' ' GLU . 7.0 tp10 -94.11 166.1 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 4.5 t70 -79.51 16.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.563 ' H ' ' HG3' ' A' ' 141' ' ' GLU . 28.2 mt-10 -160.84 121.9 2.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.88 -22.64 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.62 20.43 50.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.374 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 143' ' ' GLU . 3.4 t0 -83.15 124.93 30.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.805 0.336 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.11 -31.06 60.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.303 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.6 m -53.93 -30.04 44.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.467 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.9 pt -104.05 17.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.484 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.514 ' O ' HD21 ' A' ' 15' ' ' LEU . 23.2 mtm -123.7 126.61 46.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.68 177.98 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -117.11 136.45 52.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.834 HG21 ' NE2' ' A' ' 103' ' ' GLN . 7.9 t -126.93 120.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.11 161.94 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.788 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -91.01 133.78 35.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.33 159.27 24.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -86.44 129.07 34.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -91.99 -58.0 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -175.67 145.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.29 135.1 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.37 -177.04 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.85 120.49 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -124.42 135.54 53.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.39 126.73 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.17 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 49' ' ' ILE . 26.0 mt -108.99 114.46 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -117.3 162.59 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 45.3 p30 -107.67 -162.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.512 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.9 mm? -72.95 -28.11 62.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.084 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.58 11.46 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.544 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 t70 67.18 31.36 6.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.72 137.22 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.794 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.46 140.8 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -68.7 119.7 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.19 153.15 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.026 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.885 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.7 mm -92.78 150.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -109.69 178.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.55 -20.52 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.05 22.24 29.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.696 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.0 32.59 21.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.8 134.49 23.04 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.17 94.88 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.621 2.214 . . . . 0.0 112.436 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 133' ' ' LEU . 1.1 mt -111.88 134.23 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.702 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -83.85 125.97 32.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.52 174.73 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.676 0.274 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 5.9 m-85 -77.9 152.15 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.996 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.589 ' O ' HD13 ' A' ' 49' ' ' ILE . 4.5 mp -81.29 153.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 48' ' ' ILE . 20.2 mm -127.21 118.33 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.982 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.78 122.93 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.994 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.43 ' HB2' ' HE3' ' A' ' 51' ' ' MET . 6.5 mtm -94.82 128.69 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -96.81 150.38 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.4 tptt -87.39 103.62 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.662 -0.175 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -99.45 125.53 45.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.13 114.43 19.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.3 170.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -150.99 119.14 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.08 130.59 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 142.47 30.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 47' ' ' PHE . 10.9 p -101.86 136.39 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HG2' HG23 ' A' ' 71' ' ' ILE . 39.5 mtpt -126.85 137.21 53.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.326 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t 178.8 -78.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -28.19 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.173 0.511 . . . . 0.0 109.91 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 123.64 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.078 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.444 HG23 ' HG2' ' A' ' 67' ' ' LYS . 10.4 mt -63.6 118.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.423 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -128.84 148.15 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.816 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -121.14 133.45 55.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.2 tp -67.84 102.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 p -110.38 146.83 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -115.99 104.84 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.85 -101.45 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -97.82 -70.71 0.71 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.979 0.418 . . . . 0.0 110.629 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.78 -6.61 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.2 mt -104.92 171.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 138' ' ' LEU . 37.9 mm -117.96 132.4 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -143.79 151.65 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.885 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 30.2 m-85 -94.66 121.25 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.42 114.31 28.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.78 97.96 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.657 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -172.02 134.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -72.79 143.98 85.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.17 132.29 51.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 112.162 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.37 174.15 13.3 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.456 2.104 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.18 -37.08 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.754 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.88 113.88 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.569 ' CD1' HD11 ' A' ' 100' ' ' ILE . 35.6 mt -98.24 124.96 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -52.35 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.712 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 158.07 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -86.53 -23.05 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 105.33 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.401 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.87 156.0 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' HG23 ' A' ' 99' ' ' ILE . 2.6 p30 -63.38 -26.26 68.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' OD1' ' A' ' 98' ' ' ASP . 44.7 pt -88.6 -32.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 92' ' ' ILE . 36.3 mm -59.14 135.37 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 13.7 m-85 -129.33 150.42 50.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.807 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.61 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.623 ' OE1' HG21 ' A' ' 153' ' ' VAL . 9.1 tt0 -74.73 132.94 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -136.04 116.1 13.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -58.89 150.04 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.775 HG11 ' SD ' ' A' ' 150' ' ' MET . 47.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.245 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 t30 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.788 0.328 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -105.37 168.97 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.63 156.17 43.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.028 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.3 124.27 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 61.1 m-85 -88.25 100.69 13.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.8 158.68 18.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.16 148.19 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.5 p -63.04 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -66.85 -67.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.01 -170.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.09 24.73 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.461 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -78.36 -11.04 85.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -149.95 145.35 26.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 140' ' ' LYS . 24.0 m-85 -135.2 139.36 44.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.8 mt -63.49 114.3 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.797 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -118.44 175.97 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 18.3 t -112.34 142.42 44.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.22 128.17 47.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 99.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.47 109.54 20.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 57.49 -112.94 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -109.69 17.53 21.18 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.513 0.197 . . . . 0.0 111.409 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 29' ' ' LEU . 9.4 mt -135.58 144.73 46.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.991 0.424 . . . . 0.0 111.537 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -96.78 100.74 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.123 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.494 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -90.89 132.08 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.007 0.432 . . . . 0.0 111.805 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 151' ' ' PHE . 4.3 tp -85.8 137.88 32.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.573 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -148.92 -179.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.127 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.729 ' HB2' HD11 ' A' ' 81' ' ' ILE . 11.5 tp -106.97 119.68 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 16.0 ptmt -157.3 175.35 14.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -118.79 101.42 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.471 ' HB2' HG21 ' A' ' 149' ' ' ILE . 2.7 mm-40 -60.41 170.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.79 -30.72 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.53 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.49 123.85 41.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.504 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.402 ' CD2' ' HE2' ' A' ' 140' ' ' LYS . 11.4 mt -67.08 -22.8 65.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.07 30.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.217 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.65 123.06 33.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.459 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.58 -25.56 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 p -54.39 -29.2 48.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.549 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.3 pt -106.73 15.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.432 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.775 ' SD ' HG11 ' A' ' 106' ' ' VAL . 7.0 mtt -111.98 132.18 54.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 136' ' ' LEU . 59.2 m-85 -118.66 173.11 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.3 129.39 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.623 HG21 ' OE1' ' A' ' 103' ' ' GLN . 5.1 t -113.86 129.93 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.041 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -123.87 161.9 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.11 131.87 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 151.62 23.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -73.24 117.84 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.9 tt -78.42 -53.11 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 5' ' ' LEU . 8.6 pt-20 -176.34 127.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.43 120.54 41.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -142.75 177.28 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 48' ' ' ILE . 15.4 mt -102.29 117.59 35.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -123.56 134.45 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.639 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 t -81.13 135.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 19' ' ' VAL . 59.9 mt -109.26 128.59 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -135.69 161.94 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.45 -165.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.368 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.0 mm? -70.41 -28.53 65.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.69 11.94 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.47 21.35 12.44 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.33 128.78 41.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.236 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.9 p -86.25 139.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.294 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.9 tp -64.51 137.68 57.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.46 156.64 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 12.7 mm -99.07 144.03 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.681 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.4 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -57.33 -22.03 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.16 24.97 29.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.576 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.539 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.5 p-10 44.78 30.42 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.486 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.96 139.18 21.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 94.99 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.458 2.105 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -107.27 153.5 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 17.1 m-85 -100.69 125.04 47.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.74 174.74 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.303 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 2.6 m-85 -77.93 144.94 36.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -68.99 133.92 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.1 mm -111.02 114.61 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.07 125.14 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.74 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -99.95 122.13 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.761 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -96.01 144.06 26.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.774 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.2 tptt -75.73 120.3 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.89 113.86 25.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.856 0.36 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 110.06 15.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.999 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.74 HG12 ' HG3' ' A' ' 51' ' ' MET . 21.5 m -126.33 170.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.272 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 100' ' ' ILE . 32.1 p -150.22 117.09 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.04 129.47 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 128.74 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.35 139.89 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -129.14 133.73 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.276 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.05 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -26.77 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 0.0 109.854 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.32 123.51 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.126 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.73 118.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.341 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.68 132.5 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.2 m -118.62 135.39 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.602 HD11 ' CG2' ' A' ' 81' ' ' ILE . 19.5 tp -62.34 106.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -118.65 133.46 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.1 p -95.45 101.56 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.49 -152.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -40.28 -31.96 0.16 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 111.722 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.1 mt -77.77 162.42 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 138' ' ' LEU . 39.9 mm -101.5 137.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -156.69 137.67 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.627 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.9 m-85 -76.28 98.1 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.43 118.66 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.05 97.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.7 ptm -177.75 138.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -72.97 139.97 80.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 130.04 37.2 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.462 2.108 . . . . 0.0 112.23 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.51 157.84 57.73 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.36 2.04 . . . . 0.0 112.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.78 -38.1 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.41 98.56 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 100' ' ' ILE . 19.7 mt -82.81 127.81 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -33.09 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 92' ' ' ILE . 6.0 m-20 -89.96 158.15 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -86.96 -16.41 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 101.1 4.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.83 162.65 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.72 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.39 -20.44 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -96.02 -28.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.376 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 92' ' ' ILE . 35.5 mm -62.85 137.17 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.259 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -129.43 150.75 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.39 91.96 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.282 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.04 119.91 34.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.586 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.3 tpt180 -143.52 146.46 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.119 0.485 . . . . 0.0 111.03 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -55.93 142.61 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.447 HG11 ' SD ' ' A' ' 150' ' ' MET . 3.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.97 160.51 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 16.7 mmt -124.12 153.53 41.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.35 129.01 49.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.554 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 25.0 m-85 -96.36 115.05 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.912 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 26.8 tt0 -112.01 158.82 19.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 140.33 55.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.838 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.9 p -58.44 -47.51 83.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -160.09 179.34 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.33 -175.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.08 -26.6 22.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.481 ' HB3' HD11 ' A' ' 138' ' ' LEU . 6.2 m-85 -134.9 116.05 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 44.8 m-85 -119.29 144.34 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.745 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.2 mt -66.85 138.76 57.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.558 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -145.03 -177.05 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 15.1 p -117.98 112.5 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.8 129.71 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.61 104.01 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.44 102.34 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 60.63 -110.6 0.45 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.599 0.238 . . . . 0.0 111.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.94 141.04 40.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 111.289 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -98.36 100.25 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.371 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -87.87 123.84 33.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 126' ' ' ALA . 1.6 tp -70.12 138.56 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.572 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -149.35 -179.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.804 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.3 tp -107.52 113.87 27.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.637 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -149.01 174.54 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.08 100.87 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 149' ' ' ILE . 7.0 mm-40 -60.36 178.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.7 -27.49 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.88 132.82 49.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.0 -24.05 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.57 23.21 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.347 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.51 121.63 27.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.743 0.306 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.623 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.96 -25.68 44.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.269 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.6 m -54.76 -32.58 60.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.931 0.396 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.725 HG23 ' HG3' ' A' ' 141' ' ' GLU . 21.9 pt -102.31 16.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.048 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.447 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.5 mtt -111.05 122.34 47.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 151' ' ' PHE . 3.1 m-85 -110.26 167.77 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.37 132.34 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.4 144.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -135.14 161.94 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.35 133.16 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.82 150.47 22.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -76.3 108.54 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -70.01 -58.49 3.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.0 pt-20 -174.97 130.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -106.96 124.59 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -150.9 -176.96 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.26 125.24 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -129.96 129.65 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.64 140.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -120.73 115.69 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -108.21 165.72 11.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -108.79 -169.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 150' ' ' MET . 3.0 mm? -73.31 -23.96 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -90.31 11.52 21.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.362 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t0 68.65 28.99 5.55 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 111.028 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -92.41 -176.3 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.99 134.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 111.161 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.973 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.5 tp -71.59 125.38 26.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -145.97 160.56 41.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 83' ' ' PHE . 11.0 mm -91.62 145.57 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -106.14 -175.85 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.5 -20.53 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.47 18.52 44.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.624 ' HA ' HG23 ' A' ' 22' ' ' ILE . 3.8 t-20 57.74 38.71 27.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -106.79 139.69 20.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 96.33 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.549 2.166 . . . . 0.0 112.399 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD13 HD22 ' A' ' 133' ' ' LEU . 8.4 mt -113.78 140.49 48.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.973 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 79.1 m-85 -95.33 129.18 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.62 140.64 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 120.586 0.232 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.9 m-85 -77.9 159.53 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.253 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -83.67 142.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 64' ' ' ILE . 27.8 mm -117.14 120.68 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.54 116.95 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.782 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.731 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.1 mtm -89.22 124.88 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -99.92 145.35 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' LEU . 36.1 tptt -81.55 117.71 22.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.68 -0.168 . . . . 0.0 112.68 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 ttp -86.07 116.88 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 112.65 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.2 m -135.39 168.89 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.16 116.25 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -89.02 130.84 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.12 131.01 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.44 141.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -135.75 139.97 43.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -75.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.784 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 123.8 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.253 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.02 120.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.299 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -136.88 147.03 46.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 m -123.44 144.84 49.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 22.2 tp -77.96 118.22 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 p -128.16 135.75 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.7 p -104.33 101.59 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -95.96 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -97.85 -76.59 0.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.924 0.393 . . . . 0.0 110.536 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -6.8 9.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.981 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.72 167.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.688 ' CG2' HD11 ' A' ' 74' ' ' LEU . 37.9 mm -102.99 139.96 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 p -143.74 150.07 38.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 22' ' ' ILE . 11.1 m-85 -100.94 123.54 45.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 118.97 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.7 99.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 1.4 ptm -176.67 127.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.426 ' O ' ' HE3' ' A' ' 86' ' ' MET . 30.0 p-10 -63.0 153.08 82.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 132.61 30.66 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.55 2.167 . . . . 0.0 112.268 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.12 171.32 15.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.555 2.17 . . . . 0.0 112.375 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -97.05 -42.82 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -128.46 125.89 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.8 HG22 ' H ' ' A' ' 94' ' ' ASP . 47.7 mt -109.99 143.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 13.78 23.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.75 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.8 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.2 p30 -128.28 143.47 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.778 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 -1.73 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.561 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.3 100.02 0.51 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.81 170.84 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 99' ' ' ILE . 15.8 p30 -71.35 -21.38 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.458 HG23 ' OD1' ' A' ' 98' ' ' ASP . 4.3 pt -93.73 -30.0 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.3 mm -59.81 135.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -129.69 138.37 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.54 100.23 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -85.82 137.89 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.44 120.78 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.467 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 1.6 m -54.28 167.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.633 HG11 ' SD ' ' A' ' 150' ' ' MET . 54.3 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HD2' HG23 ' A' ' 152' ' ' THR . 27.8 mmmt -105.69 152.48 23.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.146 0.498 . . . . 0.0 111.319 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.467 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -141.78 167.81 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.169 -179.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -132.04 137.34 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 125' ' ' LEU . 10.4 m-85 -96.99 111.44 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -107.15 157.42 17.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.4 t -68.3 153.29 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.5 p -66.34 -42.45 88.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -57.49 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.07 -178.16 6.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.98 -175.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.681 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.64 -21.78 29.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.691 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.34 127.38 17.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.8 0.333 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 144' ' ' LEU . 9.4 m-85 -122.02 140.17 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 115' ' ' PHE . 6.4 mt -68.93 110.34 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -112.22 177.46 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.3 p -120.4 132.36 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 126.8 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.4 OUTLIER -85.24 106.57 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -121.18 115.45 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 59.94 -117.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -109.62 17.51 21.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.309 -0.245 . . . . 0.0 111.246 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.68 HD22 HD13 ' A' ' 29' ' ' LEU . 10.1 mt -130.98 142.86 50.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.068 0.461 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -102.27 100.33 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.958 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 166.3 18.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.348 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.6 tp -119.78 138.13 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.69 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.12 175.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -104.54 109.2 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.602 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.2 ptmt -141.91 176.08 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.458 ' HE2' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -123.97 99.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.47 178.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.799 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.88 -26.32 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.6 130.55 34.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 124' ' ' PHE . 17.0 mt -65.89 -23.37 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.95 19.74 50.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.288 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.91 121.69 27.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.672 0.273 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.56 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -55.94 -28.46 57.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.8 pt -108.61 13.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.633 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.4 mtm -112.73 134.99 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.674 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -124.47 176.99 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.428 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -114.15 128.28 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.65 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.73 118.04 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 161.3 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.05 125.59 37.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 95' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.792 0.33 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.66 164.81 28.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -86.11 117.94 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -86.77 -57.48 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.58 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.6 pt-20 -171.63 143.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -110.07 121.09 44.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -144.85 176.18 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -101.45 148.11 25.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.597 ' O ' HG21 ' A' ' 46' ' ' ILE . 12.5 m -143.17 140.11 30.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.77 104.06 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 49' ' ' ILE . 22.9 mt -87.57 110.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HE ' HG22 ' A' ' 19' ' ' VAL . 1.7 mtt180 -111.41 158.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.42 -167.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.0 mm? -76.07 -24.95 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.23 11.58 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.324 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.4 29.83 3.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -92.85 -175.2 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG22 ' HE ' ' A' ' 13' ' ' ARG . 25.9 t -131.84 133.41 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -64.79 142.82 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.52 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.756 HG13 HG21 ' A' ' 66' ' ' VAL . 9.3 mm -104.99 145.6 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.94 -177.83 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -20.19 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.12 19.28 38.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.742 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.6 t30 57.87 47.54 15.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -108.92 132.86 20.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.59 100.15 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.477 2.118 . . . . 0.0 112.174 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.3 mt -124.73 145.39 49.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.037 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 86.0 m-85 -99.35 123.51 43.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -135.88 157.63 46.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 47' ' ' PHE . 4.0 tt . . . . . 0 CA--C 1.536 0.423 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.721 ' N ' HG23 ' A' ' 46' ' ' ILE . 43.7 m-85 -77.84 128.04 33.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.9 mp -74.05 131.37 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 12' ' ' ILE . 16.0 mm -115.59 121.61 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -108.86 122.21 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.811 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.2 mtm -92.41 128.76 38.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -97.01 155.7 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.6 tptt -89.57 111.39 22.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.41 112.06 24.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.72 104.39 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.0 m -129.55 170.45 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.62 HG21 HD12 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -142.45 116.66 9.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.772 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 49' ' ' ILE . 2.7 mp -90.11 134.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 t -148.03 146.49 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.756 HG21 HG13 ' A' ' 22' ' ' ILE . 12.6 p -102.18 137.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 71' ' ' ILE . 27.4 mtpt -131.12 140.63 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 111.346 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.56 -79.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.46 -26.95 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 109.848 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.84 123.08 4.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 67' ' ' LYS . 17.4 mt -65.82 121.82 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.336 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.09 129.6 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.791 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 26.5 m -101.75 138.81 38.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.649 HD11 ' CG2' ' A' ' 81' ' ' ILE . 18.4 tp -66.58 103.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.681 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.77 125.87 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.1 p -101.7 103.26 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.08 -101.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -98.15 -69.47 0.76 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.888 0.375 . . . . 0.0 110.51 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -6.73 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.173 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.7 mt -106.95 164.43 4.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.858 0.361 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 138' ' ' LEU . 43.5 mm -110.09 131.78 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 p -139.12 135.78 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.3 m-85 -82.36 113.8 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.77 128.57 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.94 97.91 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.7 ptm -173.99 129.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.98 155.73 70.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.79 120.6 7.8 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.505 2.136 . . . . 0.0 112.162 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.55 176.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.364 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -109.14 -30.71 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.767 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -155.91 92.02 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 100' ' ' ILE . 32.1 mt -75.58 126.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -54.15 48.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.06 158.13 23.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 2' ' ' PHE . 46.5 p -86.54 -21.08 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.56 103.29 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.423 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.82 161.83 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -69.07 -19.78 64.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 63' ' ' THR . 1.9 pt -97.67 -29.74 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 63' ' ' THR . 30.0 mm -59.09 143.32 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -132.81 152.29 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -112.1 94.0 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.591 ' NE2' HG21 ' A' ' 153' ' ' VAL . 26.5 tt0 -76.15 135.38 39.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -139.15 116.96 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.0 p -60.56 163.49 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.72 HG21 ' SD ' ' A' ' 150' ' ' MET . 42.4 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HZ1' HD13 ' A' ' 15' ' ' LEU . 3.4 mmmm -79.8 164.43 23.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -138.07 164.39 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -137.91 133.75 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.696 ' CG ' HD12 ' A' ' 125' ' ' LEU . 27.7 m-85 -95.26 126.78 40.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 124' ' ' PHE . 30.0 tt0 -116.01 158.84 22.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 t -65.52 139.81 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -59.35 -36.33 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -60.88 -69.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -160.02 -178.42 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -176.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.71 -25.34 15.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.54 142.7 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' A' ' 116' ' ' GLU . 13.5 m-85 -139.27 160.35 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.696 HD12 ' CG ' ' A' ' 115' ' ' PHE . 10.9 mt -70.46 131.61 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.71 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.606 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -137.49 167.85 20.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 p -113.76 125.54 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.19 126.89 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.76 103.25 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.85 117.07 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 59.37 -117.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.58 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.56 17.51 21.29 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.337 -0.227 . . . . 0.0 111.421 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 29' ' ' LEU . 11.8 mt -133.94 144.16 48.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.519 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -101.71 100.34 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.998 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.595 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.03 170.92 14.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.7 134.33 53.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.686 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -145.72 174.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.195 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.711 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.8 tp -99.29 106.32 18.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.606 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 0.8 OUTLIER -142.58 169.03 18.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -124.0 98.9 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 149' ' ' ILE . 9.8 mm-40 -60.44 176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -31.33 39.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.66 123.7 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 140' ' ' LYS . 7.4 mt -68.67 -24.41 64.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.06 24.81 26.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -87.62 123.85 32.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -24.14 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 p -54.84 -29.02 54.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.524 HG23 ' HG3' ' A' ' 141' ' ' GLU . 46.7 pt -109.93 13.13 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.429 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.72 ' SD ' HG21 ' A' ' 106' ' ' VAL . 6.1 mtm -111.89 133.01 54.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.599 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -125.03 174.61 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 140.73 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.591 HG21 ' NE2' ' A' ' 103' ' ' GLN . 4.4 t -129.55 118.56 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -112.19 161.94 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -89.42 133.78 34.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 9.1 t80 . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.681 0.277 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' ASN . . . -159.16 161.41 32.0 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.759 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.57 134.89 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.2 tt -95.71 -49.75 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HG2' HD22 ' A' ' 5' ' ' LEU . 3.8 pt-20 -177.1 142.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -109.74 127.73 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 -177.68 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.8 mt -107.95 124.5 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.591 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.67 133.83 47.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.556 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' HA ' HD12 ' A' ' 46' ' ' ILE . 26.5 t -81.25 133.32 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.5 mt -115.29 108.32 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.049 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -101.9 156.8 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.79 -172.86 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm? -63.18 -30.58 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.97 11.48 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.364 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.58 29.9 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -102.16 136.03 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.03 136.83 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 30' ' ' PHE . 19.5 tp -67.92 145.95 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -156.55 166.83 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 26' ' ' ASN . 7.7 mm -101.09 150.35 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -176.33 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -61.56 -19.46 62.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.49 14.49 56.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.723 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.524 ' HA ' HG23 ' A' ' 22' ' ' ILE . 20.9 t-20 55.76 69.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -141.12 141.68 24.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.7 Cg_endo -74.9 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.49 2.127 . . . . 0.0 112.319 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 133' ' ' LEU . 1.7 mt -114.44 137.18 52.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.762 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CE2' HD13 ' A' ' 20' ' ' LEU . 32.2 m-85 -87.57 124.57 33.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -136.91 166.95 22.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 CA-C-O 120.622 0.249 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.574 ' N ' HG23 ' A' ' 46' ' ' ILE . 52.3 m-85 -78.19 166.32 22.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.063 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -97.63 123.64 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.575 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.439 HD12 HG13 ' A' ' 64' ' ' ILE . 23.9 mm -98.12 125.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.351 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -108.02 107.59 18.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.797 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.72 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.5 mtm -80.97 133.45 35.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 98.1 m-85 -107.44 162.55 13.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -87.89 120.91 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.731 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.584 -0.206 . . . . 0.0 112.584 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 ttm -97.14 112.16 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.46 112.27 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.72 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.1 m -137.68 170.59 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.512 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.66 121.24 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG13 HD12 ' A' ' 49' ' ' ILE . 3.6 mp -93.29 121.41 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 136.71 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 13.7 p -92.9 136.3 25.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG2' HG23 ' A' ' 71' ' ' ILE . 17.0 mttt -131.83 137.76 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.314 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 -78.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.831 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 -27.88 13.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.591 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.69 127.91 10.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.925 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.455 HG23 ' HG2' ' A' ' 67' ' ' LYS . 62.6 mt -77.73 118.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.444 . . . . 0.0 111.295 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 m -133.23 144.42 49.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 m -122.78 133.1 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.49 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.9 tp -62.04 116.84 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -123.07 128.73 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.0 101.47 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -155.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.61 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -42.54 -30.42 0.35 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.534 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.0 142.85 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 138' ' ' LEU . 36.1 mm -90.26 127.35 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.5 p -147.71 141.15 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -81.38 116.79 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.6 133.05 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.57 100.31 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -178.01 129.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -66.87 148.62 98.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 127.08 24.47 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.456 2.104 . . . . 0.0 112.214 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.67 155.43 59.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.438 2.092 . . . . 0.0 112.209 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -91.2 -29.81 17.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.593 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.404 ' HA ' ' HA2' ' A' ' 3' ' ' GLY . 1.6 t30 -159.69 102.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.547 HG22 ' H ' ' A' ' 94' ' ' ASP . 8.0 mt -81.05 150.96 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -81.63 -30.46 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.4 m-20 -94.97 158.11 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -85.78 -12.28 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.409 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 101.7 3.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.404 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.82 172.67 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.673 ' OD1' HG23 ' A' ' 99' ' ' ILE . 12.9 p30 -75.7 -18.13 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.673 HG23 ' OD1' ' A' ' 98' ' ' ASP . 33.4 pt -95.76 -30.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.443 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 44.1 mm -59.24 140.58 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -131.49 146.22 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 5.6 m-85 -103.54 93.47 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.505 ' CD ' HG21 ' A' ' 153' ' ' VAL . 24.8 tt0 -94.22 115.66 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 7.9 tpt180 -138.7 145.81 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 111.191 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.406 ' CB ' ' HE2' ' A' ' 113' ' ' MET . 0.7 OUTLIER -58.98 143.94 46.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.149 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.009 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.3 t30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' SER . 14.1 mmmm -66.62 156.53 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.406 ' HE2' ' CB ' ' A' ' 105' ' ' SER . 17.7 mmt -126.43 151.79 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -123.45 130.05 52.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.0 m-85 -96.56 111.51 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.762 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.434 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -110.6 158.56 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -67.8 148.81 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 91.0 p -63.49 -41.36 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 13.2 t -59.21 -76.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CG ' ' O ' ' A' ' 119' ' ' SER . 94.7 m-85 -157.51 -176.15 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.06 -174.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.46 -14.94 57.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.726 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.19 117.07 8.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 20.6 m-85 -119.51 141.64 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -71.41 127.11 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.742 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -132.14 174.06 10.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.74 118.31 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.798 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.26 128.26 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 107.79 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -121.3 102.5 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 61.38 -113.4 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.52 17.54 21.28 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.599 0.238 . . . . 0.0 111.25 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 29' ' ' LEU . 8.4 mt -136.76 139.83 42.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.409 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.91 100.83 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.239 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.596 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -87.88 123.47 32.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.96 137.66 45.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.697 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.38 -179.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 81' ' ' ILE . 8.9 tp -113.89 112.73 23.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.427 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.02 176.89 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.322 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.56 93.48 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 149' ' ' ILE . 32.2 mm-40 -60.62 173.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -28.35 39.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.47 123.64 41.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.94 -22.86 62.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.14 22.43 36.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.222 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.89 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.65 -26.06 61.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -54.85 -28.43 49.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.742 HG22 ' HB2' ' A' ' 126' ' ' ALA . 23.6 pt -105.51 11.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.498 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 24.0 mtt -106.18 148.2 28.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.724 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -129.93 171.68 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.18 130.68 52.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.505 HG21 ' CD ' ' A' ' 103' ' ' GLN . 12.8 t -115.27 143.44 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.308 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.37 161.97 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.23 131.33 34.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 123.03 1.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.416 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tpmt? -59.44 118.59 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -81.78 -55.99 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.57 ' HG2' HD22 ' A' ' 5' ' ' LEU . 11.8 pt-20 -176.73 142.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.19 123.79 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HE3' ' A' ' 51' ' ' MET . 35.7 pttt -146.81 158.8 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 48' ' ' ILE . 8.6 mt -80.99 123.69 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.755 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -129.3 135.49 48.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.591 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.7 t -81.56 130.24 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 49' ' ' ILE . 35.6 mt -108.74 112.74 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 169.85 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 49.3 p30 -122.27 -163.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 15' ' ' LEU . 1.1 mm? -72.62 -26.84 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.45 11.51 19.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.419 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 63.95 31.57 13.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -107.46 141.88 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.58 138.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.2 tp -63.93 131.99 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.8 157.19 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 26' ' ' ASN . 9.9 mm -99.7 141.04 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -105.97 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.22 -23.47 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.42 30.82 8.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.707 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.8 p-10 44.93 34.5 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.796 0.332 . . . . 0.0 111.437 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 137.38 22.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.11 97.61 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.531 2.154 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 HD22 ' A' ' 133' ' ' LEU . 3.0 mt -116.29 134.58 54.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.715 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 93.9 m-85 -83.79 132.46 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -137.98 140.72 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.663 0.268 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.721 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -77.78 146.93 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.944 -179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 mp -72.01 157.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 48' ' ' ILE . 25.4 mm -128.84 121.36 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 114.32 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.5 mtm -88.64 129.46 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 4' ' ' LYS . 13.4 m-85 -102.77 157.11 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.043 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 5' ' ' LEU . 18.2 tptt -98.9 115.34 28.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.589 -0.205 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 ttm -74.44 117.1 15.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 118.36 21.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.491 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.2 m -142.29 169.63 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.9 p -147.5 112.45 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 HD12 ' A' ' 49' ' ' ILE . 5.3 mt -83.86 136.82 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.48 138.66 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.105 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.84 143.82 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.902 ' HE2' HD13 ' A' ' 71' ' ' ILE . 17.3 mttt -135.49 136.38 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.528 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t 179.12 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.851 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -102.18 -26.52 13.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.931 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 125.07 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.121 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.902 HD13 ' HE2' ' A' ' 67' ' ' LYS . 18.3 mt -64.76 109.33 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.43 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -119.0 145.11 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -117.95 139.88 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 81' ' ' ILE . 65.0 tp -77.07 109.55 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -121.78 145.61 47.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 81' ' ' ILE . 27.3 p -109.24 114.96 29.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.697 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -100.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.03 -67.77 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.398 . . . . 0.0 110.613 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -124.57 -6.52 7.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.4 mt -107.4 169.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.74 ' CG2' HD11 ' A' ' 74' ' ' LEU . 41.9 mm -108.59 148.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.07 162.26 39.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 9.6 m-85 -104.83 118.6 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.44 108.63 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.99 97.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.696 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -171.18 136.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.902 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.2 m120 -68.93 152.19 96.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.682 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 132.29 31.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.63 174.96 11.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.365 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -104.92 -47.46 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.4 mt -85.91 141.72 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -32.09 40.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 92' ' ' ILE . 17.0 m-20 -86.29 149.73 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -12.19 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 100.16 3.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -92.88 152.73 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -59.54 -24.84 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -88.62 -30.76 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 97' ' ' SER . 34.7 mm -61.44 128.92 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.02 146.66 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 7.4 m-85 -105.39 91.33 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -75.12 132.36 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -136.68 120.34 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.4 158.55 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.669 HG11 ' SD ' ' A' ' 150' ' ' MET . 46.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.851 0.358 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.76 164.53 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -138.82 165.52 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.711 ' NE2' HD12 ' A' ' 149' ' ' ILE . 0.7 OUTLIER -138.8 121.98 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.724 ' HB2' HD12 ' A' ' 125' ' ' LEU . 34.6 m-85 -86.03 120.77 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 4.5 tt0 -105.01 158.83 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 139.31 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 5.9 p -60.48 -42.24 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 t -58.63 -67.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.06 -179.54 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.67 -175.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.82 -45.82 1.26 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.04 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 7.6 m-85 -122.44 150.37 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 115' ' ' PHE . 5.6 mt -67.31 135.93 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -146.91 160.76 41.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.34 131.45 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.1 132.76 51.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -79.46 131.53 36.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.52 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 6.4 mt-10 -144.9 95.99 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.412 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 83.6 mtt180 61.71 -105.85 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.369 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -110.2 17.49 20.9 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 122.244 -0.285 . . . . 0.0 111.695 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -138.91 139.55 38.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.154 0.502 . . . . 0.0 111.917 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 129' ' ' LYS . 6.6 m-85 -102.99 100.15 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.326 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.431 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -81.79 171.11 14.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.542 -178.726 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 125' ' ' LEU . 13.8 tp -124.74 134.73 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -179.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.596 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -104.59 118.38 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.8 ptmt -153.92 177.77 10.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 111.076 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 101.7 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.698 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.475 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.5 mm-40 -60.53 171.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -29.77 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.8 125.41 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.501 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.8 -22.3 66.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.019 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.39 21.25 43.72 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.212 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -86.73 121.1 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.611 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.94 -25.96 33.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.7 p -54.28 -30.16 49.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.711 HD12 ' NE2' ' A' ' 114' ' ' GLN . 22.6 pt -107.49 15.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.669 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.2 mtt -110.01 135.84 50.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.6 171.5 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.68 140.62 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.98 135.56 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 161.84 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.56 132.49 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.739 0.304 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.8 165.29 26.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -97.83 114.64 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -77.65 -59.03 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.1 pt-20 -172.65 142.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 t -112.16 130.56 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 176.56 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 48' ' ' ILE . 13.2 mt -94.46 126.18 39.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.59 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -127.36 129.53 47.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.48 128.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.7 mt -111.44 116.02 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.088 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -112.63 155.16 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.66 -167.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.506 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.0 mm? -68.67 -31.43 70.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -89.81 11.5 19.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.38 32.85 2.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -100.32 131.81 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.23 138.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.669 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 21.4 tp -77.14 114.98 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.65 158.81 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.849 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.3 mm -89.01 147.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.69 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.32 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.66 -19.72 59.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.86 18.9 36.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.691 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HG23 ' A' ' 22' ' ' ILE . 9.3 m-80 56.99 64.31 1.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.935 0.398 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.4 mtt85 -133.79 134.59 23.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 27' ' ' ARG . 9.3 Cg_exo -71.97 105.48 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.646 2.231 . . . . 0.0 112.185 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 28' ' ' PRO . 3.6 mt -127.15 133.84 50.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -87.31 133.63 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -158.29 162.15 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.636 0.255 . . . . 0.0 110.825 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -77.99 160.92 27.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.289 -179.356 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.1 mp -88.34 139.85 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -115.09 133.43 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -116.08 124.13 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.669 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.9 mtm -97.59 124.52 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 24.8 m-85 -88.23 152.39 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 5' ' ' LEU . 17.1 tptt -99.97 103.54 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -89.03 118.85 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.0 104.92 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HG3' ' A' ' 51' ' ' MET . 25.0 m -133.71 166.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.557 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.8 p -148.52 132.5 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' THR . 3.5 mp -99.48 138.99 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.22 137.98 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.43 144.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -132.26 145.84 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.031 0.444 . . . . 0.0 111.353 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.74 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -25.82 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.835 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.76 124.76 4.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.202 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -68.04 122.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.3 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -132.1 148.68 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 64' ' ' ILE . 28.3 m -129.33 140.22 51.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 81' ' ' ILE . 18.8 tp -68.75 103.02 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 130.66 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 23.6 p -104.55 105.01 14.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -54.69 -100.09 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -97.96 -69.17 0.77 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.941 0.4 . . . . 0.0 110.712 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -6.59 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.282 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -107.94 172.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.682 HG21 HD11 ' A' ' 74' ' ' LEU . 36.9 mm -115.11 139.37 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 m -149.01 139.72 22.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.849 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 22.0 m-85 -84.28 115.17 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -98.41 125.53 43.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.56 97.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.439 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 2.0 ptm -175.17 147.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -79.47 154.85 76.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 28.4 Cg_endo -62.95 120.88 8.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.59 2.193 . . . . 0.0 112.174 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 24.4 Cg_exo -62.27 154.79 60.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.379 2.053 . . . . 0.0 112.31 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -96.26 -24.98 15.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.93 87.26 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -69.99 148.18 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 35.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -148.34 153.42 38.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -85.6 -5.48 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 100.01 1.72 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.417 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 150.62 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -60.41 -22.13 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.24 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.6 pt -92.7 -29.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.387 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 63' ' ' THR . 32.8 mm -64.7 141.67 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -132.12 153.09 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.41 96.45 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.175 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.5 129.9 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.747 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.7 120.63 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.1 p -56.03 166.88 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' SD ' ' A' ' 150' ' ' MET . 41.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.788 0.328 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.57 ' HD2' HG23 ' A' ' 152' ' ' THR . 13.1 mmmm -71.0 154.19 42.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -134.49 168.3 19.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -140.6 126.68 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 90.2 m-85 -88.1 119.85 28.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tm-20 -108.62 158.74 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 135.56 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -58.78 -40.68 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 0.1 OUTLIER -60.62 -72.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 21.8 p90 -160.05 179.73 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.0 -174.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 -27.71 18.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -132.52 109.95 10.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 5.5 m-85 -114.4 146.41 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 136' ' ' LEU . 1.6 mt -70.4 121.72 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.682 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.698 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -129.65 167.16 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.08 134.65 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -108.45 136.58 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -87.02 108.74 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -123.25 107.96 12.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 59.61 -114.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -109.5 17.58 21.24 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.557 0.218 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -131.34 137.58 48.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.464 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 32.1 m-85 -98.22 100.23 11.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.731 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.31 169.86 16.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.34 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 125' ' ' LEU . 4.1 tp -129.58 132.07 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -143.73 178.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.96 111.08 23.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.597 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -146.6 177.06 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.25 100.08 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.8 mm-40 -60.48 171.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.96 -30.36 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -125.6 125.23 42.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.423 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.6 18.87 55.58 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.322 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.03 125.19 31.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.44 -25.79 51.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.143 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.433 ' N ' ' HD3' ' A' ' 147' ' ' ARG . 2.8 p -55.74 -26.59 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.4 pt -108.62 13.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.451 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 106' ' ' VAL . 8.7 mtm -117.85 148.16 42.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.732 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 2.4 m-85 -137.91 177.83 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -122.44 131.76 54.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.99 134.89 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -134.08 161.88 33.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.67 132.26 34.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 2.1 t80 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -159.91 179.96 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.268 -0.968 . . . . 0.0 113.007 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.05 132.0 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 111.238 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -88.48 -48.65 7.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.643 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.0 pt-20 -177.28 137.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 132.24 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -149.24 163.88 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 48' ' ' ILE . 20.9 mt -96.5 122.99 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 3.8 m -126.9 136.77 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.41 ' HA ' HD12 ' A' ' 46' ' ' ILE . 30.9 t -81.13 137.02 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.52 112.29 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.337 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 19' ' ' VAL . 22.8 mtt85 -116.4 145.64 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.699 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.457 ' ND2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 t-20 -85.64 -168.46 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.9 mm? -74.48 -27.26 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -89.91 11.61 19.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 71.51 36.67 1.25 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -110.51 129.54 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 13' ' ' ARG . 23.0 t -84.03 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.45 148.42 37.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.82 164.69 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.463 HG12 ' CE2' ' A' ' 47' ' ' PHE . 15.4 mm -100.34 151.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.801 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -114.74 -179.27 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.81 -20.38 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.06 22.08 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.458 ' HA ' HG23 ' A' ' 22' ' ' ILE . 30.4 m120 58.34 31.85 21.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.569 ' HB3' HD21 ' A' ' 29' ' ' LEU . 4.7 mtt-85 -93.36 132.87 29.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.563 ' C ' HD23 ' A' ' 29' ' ' LEU . 68.6 Cg_endo -74.07 97.46 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.384 2.056 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -117.74 141.07 48.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CZ ' ' ND2' ' A' ' 14' ' ' ASN . 66.2 m-85 -87.09 133.69 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -137.32 170.61 15.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 46' ' ' ILE . 49.7 m-85 -78.04 129.42 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.2 mp -68.06 131.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.727 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.41 108.45 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.19 110.08 22.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.835 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.06 131.03 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 2' ' ' PHE . 8.8 m-85 -102.53 149.03 24.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.7 tptm -77.59 119.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.5 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG2' HG13 ' A' ' 62' ' ' VAL . 48.9 ttp -70.81 120.93 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.76 116.5 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.835 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.5 m -140.87 170.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.38 109.29 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 47' ' ' PHE . 1.7 mp -82.67 125.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.81 139.43 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 11.8 p -97.66 136.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HG3' HD13 ' A' ' 48' ' ' ILE . 10.4 mttp -125.21 137.54 54.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.362 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 t 178.8 -83.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.04 -32.64 16.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 123.68 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.549 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.4 118.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.225 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 m -126.25 137.9 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 m -114.47 138.84 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.0 tp -74.39 120.87 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -123.53 141.45 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.04 101.54 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.92 -154.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -40.79 -31.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.612 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.52 -33.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mt -74.66 148.38 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.886 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 138' ' ' LEU . 35.9 mm -102.67 137.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -152.09 145.93 25.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -88.93 105.39 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.76 123.5 31.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 100.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -177.75 124.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -63.01 151.13 86.75 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.88 133.4 41.45 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.451 2.1 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.18 160.54 32.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.519 2.146 . . . . 0.0 112.441 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.1 -30.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -141.93 124.59 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.7 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.44 HD12 ' HD2' ' A' ' 2' ' ' PHE . 6.7 mt -108.57 131.04 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 -38.54 67.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.985 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -105.08 158.14 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -17.72 41.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 100.01 5.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.98 165.42 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 179.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -66.75 -16.69 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 pt -99.91 -29.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 111.28 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 97' ' ' SER . 33.2 mm -59.03 139.16 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.153 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -132.04 155.24 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.785 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.89 102.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 153' ' ' VAL . 11.1 tt0 -86.77 131.92 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.13 121.44 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.35 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.4 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -58.1 151.07 19.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 150' ' ' MET . 48.7 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.577 0.227 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.406 ' CD ' HG23 ' A' ' 152' ' ' THR . 6.5 mmmm -94.07 153.73 17.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.969 0.414 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.434 ' SD ' HG23 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -146.23 163.61 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.211 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.619 HE22 HD12 ' A' ' 149' ' ' ILE . 0.5 OUTLIER -127.96 137.11 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -97.09 114.03 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.1 tt0 -108.41 150.95 26.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.94 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -60.12 -32.72 71.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.68 -70.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -160.04 173.17 16.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -175.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.52 -45.95 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -115.57 130.66 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 18.6 m-85 -127.98 141.54 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 136' ' ' LEU . 4.8 mt -69.95 108.32 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.549 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -112.42 -175.29 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.207 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.32 132.21 56.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.97 125.23 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -78.93 95.61 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.687 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.55 110.09 21.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 60.69 -114.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.61 17.43 21.33 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 122.345 -0.222 . . . . 0.0 111.427 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 29' ' ' LEU . 10.0 mt -136.07 139.78 43.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.96 0.409 . . . . 0.0 111.428 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -97.94 100.24 11.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.91 179.247 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -82.62 170.91 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 125' ' ' LEU . 5.5 tp -115.65 119.91 37.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -129.26 176.5 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.0 tp -107.49 108.47 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.456 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.446 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -147.29 175.67 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.271 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.435 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -124.04 98.78 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.652 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.616 ' HG3' HG23 ' A' ' 149' ' ' ILE . 66.5 mm-40 -60.31 175.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.8 -32.39 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -117.33 123.21 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.813 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 144' ' ' LEU . 5.0 mt -69.3 -25.24 64.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.061 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.22 17.11 58.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -78.87 119.11 21.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -25.54 11.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 m -53.95 -38.33 64.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.619 HD12 HE22 ' A' ' 114' ' ' GLN . 38.9 pt -97.08 13.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.308 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . 0.441 ' SD ' HG11 ' A' ' 106' ' ' VAL . 14.4 mtm -116.69 126.99 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.655 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -113.13 177.14 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . 0.406 HG23 ' CD ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -119.63 130.0 54.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.815 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 103' ' ' GLN . 9.2 t -119.72 127.22 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.046 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.96 161.84 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.92 133.04 33.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.817 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t80 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.65 171.53 36.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.767 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 133.33 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.3 tt -92.37 -57.35 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.1 pt-20 -169.73 133.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -101.08 132.25 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HE2' ' HE1' ' A' ' 51' ' ' MET . 39.6 pttt -149.75 175.64 11.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.84 126.62 50.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.8 m -128.81 140.54 51.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.479 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.07 137.89 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 30' ' ' PHE . 44.8 mt -113.93 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.121 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.43 153.22 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.92 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -110.82 -173.7 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.015 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.599 ' H ' HD22 ' A' ' 15' ' ' LEU . 2.6 mm? -57.79 -24.81 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.268 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.92 11.31 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 59.09 25.66 14.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.671 0.272 . . . . 0.0 111.302 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.81 -163.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.2 t -138.42 133.58 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 19.7 tp -59.5 149.86 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.6 164.96 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 111.067 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.572 HD11 ' CE2' ' A' ' 83' ' ' PHE . 10.6 mm -99.36 148.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -111.03 171.49 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.0 -25.7 5.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.94 38.24 3.38 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.2 p-10 44.91 35.81 1.66 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.48 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.27 129.09 38.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.481 ' C ' HD23 ' A' ' 29' ' ' LEU . 58.8 Cg_endo -71.82 103.09 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.387 2.058 . . . . 0.0 112.215 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 4.2 mt -118.27 139.43 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 12' ' ' ILE . 32.3 m-85 -94.84 119.38 33.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -148.46 153.18 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.855 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 46' ' ' ILE . 62.3 m-85 -78.09 149.4 33.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 110.779 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 48' ' ' ILE . 5.0 mp -85.19 128.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.23 115.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.47 110.21 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.849 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -82.99 125.93 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.79 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 32.7 m-85 -98.54 158.63 15.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HD12 ' A' ' 5' ' ' LEU . 13.2 tptt -79.53 120.36 23.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.661 -0.175 . . . . 0.0 112.661 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 114.19 28.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.761 0.315 . . . . 0.0 111.032 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.71 17.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.7 m -132.79 170.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.443 ' CG2' HD13 ' A' ' 100' ' ' ILE . 33.5 p -142.05 118.09 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.1 125.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 133.76 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 22' ' ' ILE . 14.5 p -93.47 144.27 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -136.46 136.79 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.402 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.9 t 176.76 -79.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.21 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -94.2 -28.3 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.118 0.485 . . . . 0.0 110.008 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 123.08 2.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.8 mt -63.34 121.69 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.379 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.33 133.1 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.6 m -114.96 139.24 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.597 HD23 ' CE2' ' A' ' 101' ' ' PHE . 7.0 tp -71.2 105.39 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.777 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -111.34 132.44 54.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.9 p -100.67 101.56 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.817 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -43.7 -30.37 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.817 0.342 . . . . 0.0 111.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 -32.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mt -78.53 147.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 138' ' ' LEU . 31.6 mm -99.51 138.71 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -159.14 140.01 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -78.28 101.3 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -81.27 123.46 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.73 97.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -177.21 132.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -75.53 146.39 80.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.85 132.76 48.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.495 2.13 . . . . 0.0 112.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 159.48 44.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.401 2.067 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.33 -42.19 26.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.55 120.12 9.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.725 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.534 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.9 mt -93.22 147.07 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -34.11 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 92' ' ' ILE . 9.9 m-20 -92.58 151.47 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -79.98 -17.58 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 101.73 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.86 170.94 9.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.758 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.551 ' OD1' HG23 ' A' ' 99' ' ' ILE . 11.6 p30 -74.53 -23.32 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.551 HG23 ' OD1' ' A' ' 98' ' ' ASP . 2.6 pt -92.89 -28.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.3 mm -59.68 138.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 56.2 m-85 -131.77 147.12 52.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.719 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 3.0 m-85 -105.25 94.57 5.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 153' ' ' VAL . 5.9 tt0 -94.32 112.72 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -125.74 151.71 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.5 p -70.39 134.52 47.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.138 -179.793 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.944 0.402 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -99.66 174.43 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 137.36 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -109.26 140.25 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.805 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.463 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 10.4 m-85 -103.16 113.68 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 12.5 tt0 -110.45 158.93 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.68 139.14 51.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.435 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 1.4 t -57.31 -26.59 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.128 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.39 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -160.76 84.63 0.69 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.582 0.23 . . . . 0.0 111.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.98 -171.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.242 0.544 . . . . 0.0 111.642 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.96 -27.24 21.08 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.416 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 138' ' ' LEU . 17.6 m-85 -149.47 124.83 10.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 43.2 m-85 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 8.3 mt -73.31 117.95 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -121.31 -179.79 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.88 143.47 45.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.39 124.88 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.3 95.55 7.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.83 105.17 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.683 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 61.82 -113.44 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -109.69 17.55 21.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.583 0.23 . . . . 0.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.43 140.5 44.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.989 0.423 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -98.47 100.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.87 130.54 34.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 111.351 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.32 127.96 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.446 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -136.8 176.75 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -108.45 109.55 20.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.912 0.386 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -144.27 -176.71 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . 0.491 ' HA ' ' HZ2' ' A' ' 140' ' ' LYS . 0.9 OUTLIER -124.04 100.14 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.46 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -60.32 169.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.92 -30.45 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.2 123.36 40.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.31 -22.64 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.25 23.88 31.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.141 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.25 122.55 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.3 ppt_? -56.14 -25.43 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -54.39 -28.85 46.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.9 pt -105.86 15.37 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -113.1 145.47 40.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -134.43 170.5 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 133.85 54.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 103' ' ' GLN . 2.4 t -119.33 125.71 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.76 162.11 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.51 131.69 34.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 121.144 0.497 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 1.7 t80 -50.38 169.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.764 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.98 155.2 26.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.8 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -84.57 134.79 34.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.1 tt -93.7 -55.05 3.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.8 pt-20 -175.18 136.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -103.25 129.52 50.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -155.02 160.84 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.19 135.68 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 47.0 m -138.99 134.45 33.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.646 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -81.54 125.59 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.99 105.38 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.25 155.51 17.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -99.3 -168.61 1.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.776 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.9 mm? -72.15 -30.75 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.743 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -93.11 11.58 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.212 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 t70 74.87 38.03 0.48 Allowed 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.922 0.391 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.19 135.44 47.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.8 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG21 ' HE2' ' A' ' 33' ' ' MET . 21.4 t -89.68 135.43 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.184 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.645 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.7 tp -60.94 136.43 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.65 162.26 36.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.029 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.626 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.5 mm -113.54 154.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.0 m-20 -122.18 -177.11 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -57.08 -22.06 36.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -99.15 24.54 31.84 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 45.26 32.86 1.06 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.816 0.341 . . . . 0.0 111.466 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -94.64 134.22 25.56 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 94.87 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 0.0 112.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 133' ' ' LEU . 3.7 mt -102.16 -178.97 3.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.645 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 10.0 m-85 -127.62 119.88 26.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.39 174.71 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.5 138.72 36.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.638 ' HE2' HG21 ' A' ' 19' ' ' VAL . 7.7 mtm -145.74 125.95 13.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 40.8 p -74.93 -54.9 6.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 60.93 22.22 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 t -97.51 -62.46 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -95.55 -34.07 12.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.8 t -76.8 -10.99 59.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.269 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -47.77 -36.61 11.88 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -61.52 87.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.815 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 63.68 48.35 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.796 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -58.05 135.05 84.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 32.3 Cg_exo -58.11 -52.65 5.41 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.457 2.104 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -57.23 152.92 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.7 m -149.02 126.8 11.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -74.28 176.42 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 -179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 3.6 m-85 -77.95 164.54 25.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.064 0.459 . . . . 0.0 111.278 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.4 mp -88.39 145.92 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.184 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 48' ' ' ILE . 26.3 mm -121.5 117.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 t -101.38 117.63 35.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.476 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -88.88 131.56 35.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 71.1 m-85 -103.23 153.81 19.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.8 tptp -81.86 116.91 21.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -138.14 130.3 28.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -97.59 59.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.1 154.03 39.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.05 -38.95 89.73 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.607 2.205 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -160.1 102.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 174.33 117.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -97.56 108.02 20.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.851 0.357 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.19 112.63 18.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.02 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.6 m -132.43 170.14 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.252 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.485 ' CG2' HD13 ' A' ' 100' ' ' ILE . 16.9 p -151.92 121.4 6.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.9 mt -88.91 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.7 p -143.83 123.2 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' HD1' ' A' ' 47' ' ' PHE . 12.1 p -89.56 129.32 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 126.71 49.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.2 t 179.31 -82.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.341 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -86.83 -30.2 21.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.199 0.523 . . . . 0.0 109.951 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.32 122.75 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.981 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.9 mt -58.52 119.98 3.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.464 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.5 m -136.35 128.71 30.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 m -102.13 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 81' ' ' ILE . 15.3 tp -72.85 121.16 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.464 ' HB3' HG22 ' A' ' 99' ' ' ILE . 8.6 p -132.81 128.13 36.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.13 103.2 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.0 OUTLIER -53.78 -97.73 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.919 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.04 -70.23 0.73 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.856 0.36 . . . . 0.0 110.551 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -7.62 6.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.257 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.92 167.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.771 0.32 . . . . 0.0 110.854 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.581 HG21 HD11 ' A' ' 74' ' ' LEU . 43.2 mm -103.47 137.58 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 p -140.88 140.18 34.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.626 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 10.0 m-85 -93.53 114.24 26.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -96.79 119.37 35.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.34 97.91 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -179.9 137.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -69.13 150.32 97.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.98 125.1 17.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.498 2.132 . . . . 0.0 112.151 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.06 159.7 17.7 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.417 2.078 . . . . 0.0 112.311 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.7 -27.15 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.656 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -156.68 115.97 3.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.56 144.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.218 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -47.45 46.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.23 150.7 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.749 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.3 p -79.86 -16.35 55.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.4 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 100.2 4.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 111.059 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.73 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -72.17 -20.41 61.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.286 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.464 HG22 ' HB3' ' A' ' 75' ' ' SER . 3.2 pt -96.34 -28.58 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.776 0.322 . . . . 0.0 111.316 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 63' ' ' THR . 48.0 mm -58.61 143.42 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.235 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -130.17 145.05 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.718 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 2.8 m-85 -104.59 99.24 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.141 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 5.4 tt0 -87.63 132.73 33.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -139.3 117.58 11.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 p -54.02 148.27 11.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 ' SD ' ' A' ' 150' ' ' MET . 45.4 t -93.67 132.87 29.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -80.46 122.46 4.56 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.664 2.243 . . . . 0.0 112.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.6 39.01 4.02 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.292 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -151.91 -176.01 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 0.0 110.462 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -72.83 -67.25 0.58 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -160.01 39.19 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.471 ' NZ ' HD13 ' A' ' 15' ' ' LEU . 23.5 mmmt -72.78 160.65 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.5 mmt -138.56 159.44 42.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 106' ' ' VAL . 5.7 mt-30 -123.08 128.17 49.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.427 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.4 m-85 -91.43 117.58 29.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 14.6 tt0 -119.14 158.73 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.2 t -63.55 144.97 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 29.3 p -59.22 -40.72 86.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.024 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.3 t -60.1 -74.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -159.95 -169.45 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.72 -173.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 113.79 -37.33 3.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -139.21 127.5 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.8 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.41 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 27.8 m-85 -121.43 145.45 47.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 137' ' ' ILE . 7.4 mt -70.27 139.13 52.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.783 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -143.42 175.33 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 p -115.41 120.68 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.64 131.93 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -84.27 98.38 9.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.98 113.19 25.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.785 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 60.59 -115.59 0.68 Allowed 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.608 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.64 17.42 21.33 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 122.384 -0.197 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 29' ' ' LEU . 11.4 mt -135.11 142.86 46.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.986 0.422 . . . . 0.0 111.423 -179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -98.92 100.28 11.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.042 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -83.6 169.62 15.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.404 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.44 ' HG ' HD22 ' A' ' 125' ' ' LEU . 3.9 tp -120.38 130.4 54.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.854 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.658 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -141.19 -179.93 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.556 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.7 tp -111.31 110.23 20.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 178.22 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.7 ' HZ2' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -124.01 94.91 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.87 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.512 ' HG3' HG23 ' A' ' 149' ' ' ILE . 5.7 mm-40 -65.27 170.56 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -30.78 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.491 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.33 126.29 50.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.519 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.7 HD21 ' HZ2' ' A' ' 140' ' ' LYS . 12.4 mt -76.54 -20.42 56.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.045 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.2 19.29 53.23 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.092 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -86.37 122.95 31.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.793 0.33 . . . . 0.0 110.826 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.402 ' HB2' HD12 ' A' ' 15' ' ' LEU . 1.2 ptt180 -54.53 -27.02 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.7 m -54.38 -29.55 49.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.572 HG22 ' HB2' ' A' ' 126' ' ' ALA . 19.2 pt -108.26 17.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.784 ' SD ' HG21 ' A' ' 106' ' ' VAL . 9.0 mtt -111.48 143.59 42.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.736 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -131.78 165.75 23.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.32 135.41 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -122.77 127.61 74.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.1 161.68 23.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.46 132.59 34.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 114.31 27.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.923 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.25 -167.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.24 147.2 9.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 tpmt? -84.97 112.91 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.588 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -71.93 -59.39 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.792 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.588 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.0 pt-20 -177.3 139.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 t -111.64 135.38 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.26 -175.79 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.15 134.87 45.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.0 t -88.42 103.83 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.091 0.472 . . . . 0.0 110.984 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' H ' HD13 ' A' ' 46' ' ' ILE . 50.1 mt -84.53 108.97 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -108.0 148.34 29.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 5.4 t30 -91.8 -171.1 2.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.2 mm? -72.54 -23.27 60.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.76 11.55 19.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.354 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t0 68.81 31.65 4.33 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -95.0 -168.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.35 131.03 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.25 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.735 HD13 ' CE2' ' A' ' 30' ' ' PHE . 11.8 tp -72.28 141.05 48.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.42 158.77 39.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.663 HG23 ' HA ' ' A' ' 26' ' ' ASN . 11.2 mm -90.29 145.24 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.35 -175.03 2.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -60.28 -19.86 56.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.25 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.8 19.56 35.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.799 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.663 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.0 OUTLIER 55.26 47.58 21.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 111.025 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -113.47 140.95 25.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.997 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -79.66 95.07 1.03 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.527 2.151 . . . . 0.0 112.056 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.8 mt -111.03 144.9 39.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.735 ' CE2' HD13 ' A' ' 20' ' ' LEU . 10.6 m-85 -100.75 123.51 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -143.48 159.84 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.98 148.9 29.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.3 mtm -150.81 141.83 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -74.91 -69.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 58.91 39.43 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -97.35 -66.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.37 -41.38 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 t -69.81 -11.75 61.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.41 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -53.95 -36.94 63.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 111.231 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -61.35 -31.53 71.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.11 50.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.412 . . . . 0.0 110.966 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -69.63 135.72 88.19 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 31.9 Cg_exo -58.22 -63.07 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.389 2.059 . . . . 0.0 112.372 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.35 -171.84 2.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.55 164.22 16.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.142 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.729 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.6 tt -66.67 -161.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.762 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.729 ' N ' HG23 ' A' ' 46' ' ' ILE . 77.5 m-85 -77.94 137.96 38.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.662 ' N ' HD12 ' A' ' 48' ' ' ILE . 2.0 mp -84.56 126.31 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.692 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 mm -101.63 121.98 53.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.61 109.34 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.759 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.513 ' HA ' HG12 ' A' ' 62' ' ' VAL . 22.4 mtm -81.66 125.49 30.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -97.66 143.05 28.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.0 tptt -71.37 119.79 16.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.43 147.71 41.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.3 p -83.06 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.037 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -71.25 138.47 84.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.86 97.95 1.18 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.559 2.173 . . . . 0.0 112.417 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -161.61 95.95 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.31 152.88 1.2 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.421 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.402 ' HG2' HG13 ' A' ' 62' ' ' VAL . 22.9 ttp -94.01 111.09 22.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 111.078 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.96 104.32 10.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 51' ' ' MET . 28.4 m -130.58 169.72 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.32 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.598 ' CG2' HD13 ' A' ' 100' ' ' ILE . 29.1 p -136.21 122.56 20.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.725 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mt -86.68 130.48 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 p -150.02 135.3 18.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -91.57 151.56 3.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.645 ' HE2' HD13 ' A' ' 71' ' ' ILE . 77.6 mttt -135.13 141.04 45.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.12 0.486 . . . . 0.0 111.429 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.5 t 177.44 -82.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.169 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.29 -27.15 15.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.093 0.473 . . . . 0.0 109.918 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.57 122.81 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.989 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.665 HD12 ' ND2' ' A' ' 87' ' ' ASN . 61.7 mt -62.94 120.62 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.14 0.495 . . . . 0.0 111.372 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 t -128.49 145.77 51.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.3 m -118.97 149.5 41.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.679 HD11 HG21 ' A' ' 81' ' ' ILE . 15.6 tp -75.21 104.55 5.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.59 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.54 115.04 29.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.0 p -92.1 101.55 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.638 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -52.62 -98.85 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -97.97 -73.82 0.6 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.15 -6.71 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.05 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.7 mt -106.91 165.91 4.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.679 HG21 HD11 ' A' ' 74' ' ' LEU . 44.7 mm -104.63 133.1 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -139.14 136.67 35.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' CD1' ' A' ' 74' ' ' LEU . 8.0 m-85 -87.12 122.61 31.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.13 119.76 40.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.88 97.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.34 134.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.665 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.3 m-20 -68.37 145.92 97.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.773 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.62 125.57 19.46 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.434 2.089 . . . . 0.0 112.176 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.01 168.28 6.15 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.395 2.064 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -108.12 -26.49 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.778 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -157.96 104.58 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.57 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.3 mt -93.72 147.12 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.39 67.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.57 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.8 OUTLIER -97.61 158.05 15.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.982 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 m -88.98 -7.64 55.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.399 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.66 100.04 3.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.774 0.321 . . . . 0.0 111.039 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 167.57 11.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.77 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -69.05 -17.37 63.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.212 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.413 HD12 HG21 ' A' ' 63' ' ' THR . 3.5 pt -99.65 -28.46 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.296 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.598 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.0 mm -57.23 145.29 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 111.109 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 125' ' ' LEU . 39.4 m-85 -137.46 147.32 45.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.32 89.95 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.601 ' CD ' HG21 ' A' ' 153' ' ' VAL . 6.9 tt0 -93.7 111.57 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -123.4 152.8 41.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.501 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.44 150.16 40.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.806 HG21 ' SD ' ' A' ' 150' ' ' MET . 33.7 t -91.72 139.29 24.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 50.4 Cg_exo -52.93 163.95 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.489 2.126 . . . . 0.0 112.342 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 108.22 -138.92 14.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.518 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -119.34 -36.83 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.763 0.316 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.39 166.18 0.46 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -106.29 50.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HB2' ' HB ' ' A' ' 106' ' ' VAL . 0.7 OUTLIER -83.94 163.46 19.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.6 134.61 20.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.393 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.688 ' HG3' HG22 ' A' ' 106' ' ' VAL . 40.3 mt-30 -105.81 141.22 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.654 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.437 ' HB3' HD12 ' A' ' 125' ' ' LEU . 22.5 m-85 -105.14 117.11 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -112.51 158.71 19.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.2 t -63.87 156.77 26.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.2 p -70.83 -43.16 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.8 t -60.58 -75.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.18 -169.73 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -68.36 -173.21 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.11 -28.28 15.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.375 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.437 ' HB3' HD21 ' A' ' 138' ' ' LEU . 24.7 m-85 -136.25 126.55 26.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 22.0 m-85 -126.15 137.73 53.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 136' ' ' LEU . 7.9 mt -69.68 115.45 8.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -121.06 170.69 9.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.5 p -104.3 123.32 47.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 126.03 48.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.041 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.45 132.93 35.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.686 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 12.6 mt-10 -145.04 96.21 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 0.0 111.602 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 61.37 -105.05 0.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.374 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -110.17 17.46 20.95 Favored 'General case' 0 C--O 1.231 0.109 0 O-C-N 122.266 -0.271 . . . . 0.0 111.662 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -139.63 151.85 46.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 111.836 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 129' ' ' LYS . 4.5 m-85 -110.85 100.27 9.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.865 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.607 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -89.87 127.33 35.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.977 0.418 . . . . 0.0 111.426 -179.121 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 125' ' ' LEU . 2.5 tp -76.19 139.65 41.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.58 172.21 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.018 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.678 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -105.13 111.0 23.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.579 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 18.6 ptmt -142.76 170.52 15.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.004 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.432 ' NZ ' HD21 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -111.67 94.77 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.589 179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.861 ' CD ' HD13 ' A' ' 149' ' ' ILE . 11.0 pm0 -60.49 172.32 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.101 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.84 -41.68 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.398 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -115.89 121.88 43.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.38 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.627 ' O ' HD11 ' A' ' 149' ' ' ILE . 5.7 mt -68.03 -21.61 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.77 25.38 25.31 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.057 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.01 128.12 37.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.915 0.388 . . . . 0.0 110.944 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.27 -30.79 60.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.424 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.2 m -52.98 -28.12 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.257 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.861 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.5 pt -105.31 22.21 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.417 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.806 ' SD ' HG21 ' A' ' 106' ' ' VAL . 26.9 mtt -117.26 163.88 15.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.906 0.384 . . . . 0.0 110.779 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -148.71 168.02 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.04 127.54 54.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.601 HG21 ' CD ' ' A' ' 103' ' ' GLN . 3.0 t -112.52 114.35 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -110.77 162.07 15.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -89.91 122.71 33.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.371 . . . . 0.0 110.812 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.25 129.4 34.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 7.8 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.882 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.926 0.393 . . . . 0.0 111.259 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 8.5 t80 -131.53 154.83 48.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.448 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.99 162.11 32.89 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.776 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -83.4 135.32 34.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.0 0.429 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.46 -57.55 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.965 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -165.66 125.45 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -100.26 126.27 46.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.28 177.88 10.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.797 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 47' ' ' PHE . 6.4 mt -99.5 124.46 44.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.58 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.3 132.19 51.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.498 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 t -80.99 124.3 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.09 112.05 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.127 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mtt180 -111.65 168.3 9.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.49 HD22 HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -117.54 -165.17 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.655 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -66.01 -32.68 74.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -90.37 11.61 20.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.321 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.5 t70 66.67 30.66 8.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -94.91 130.31 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' A' ' 33' ' ' MET . 21.4 t -83.97 134.41 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.5 tp -58.17 128.17 35.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.21 165.44 27.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.86 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.8 mm -106.93 153.96 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.766 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.53 -179.12 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.27 -21.06 59.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.5 21.56 38.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.689 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 88.6 m-20 58.03 30.18 18.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.731 0.3 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.528 ' HB3' HD21 ' A' ' 29' ' ' LEU . 21.0 mtt85 -93.82 143.85 27.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.562 ' C ' HD23 ' A' ' 29' ' ' LEU . 91.4 Cg_endo -79.75 94.96 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.609 2.206 . . . . 0.0 112.351 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 133' ' ' LEU . 2.1 mt -113.65 135.73 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.773 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 45.1 m-85 -89.28 127.33 35.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -149.77 174.67 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -79.78 167.38 20.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.403 ' HG3' HG21 ' A' ' 19' ' ' VAL . 45.7 mtm -114.16 107.46 15.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 p -136.66 -81.66 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 47.58 35.52 4.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 t -56.78 -24.38 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -95.72 -28.56 14.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.057 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.9 t -86.08 -18.19 33.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.31 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -55.91 -28.44 56.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 111.056 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.51 -29.27 66.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.55 36.16 3.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.111 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -170.26 132.85 1.02 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 18.1 Cg_exo -66.24 -39.59 17.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.459 2.106 . . . . 0.0 112.207 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 61.07 96.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 46' ' ' ILE . 51.9 m -153.74 160.34 42.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.608 HG23 ' N ' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -67.19 173.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.641 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.608 ' N ' HG23 ' A' ' 46' ' ' ILE . 8.8 m-85 -78.02 163.39 25.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.983 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.5 mp -83.19 136.33 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.1 mm -112.5 113.96 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.97 114.41 26.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.872 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.9 mtm -89.87 127.23 35.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.642 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 56.3 m-85 -106.8 156.66 18.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.061 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -95.99 125.77 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.071 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -147.62 148.36 31.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.8 p -78.4 78.83 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -108.29 150.69 40.87 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.95 -42.07 3.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.538 2.159 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.94 87.02 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.5 166.53 38.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.291 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.74 125.54 45.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.824 0.345 . . . . 0.0 111.104 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.04 119.75 32.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.802 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.872 HG12 ' HG3' ' A' ' 51' ' ' MET . 35.7 m -138.21 170.7 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 111.589 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 51.0 p -150.42 107.83 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.749 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.9 mt -77.02 140.53 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.62 128.87 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' CD1' ' A' ' 47' ' ' PHE . 10.7 p -89.35 137.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.867 ' HE2' HD13 ' A' ' 71' ' ' ILE . 31.9 mttt -131.27 138.21 49.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.143 0.496 . . . . 0.0 111.431 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.96 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.842 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -101.18 -27.33 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.012 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 122.5 1.24 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.306 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.867 HD13 ' HE2' ' A' ' 67' ' ' LYS . 16.7 mt -60.72 110.3 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 111.186 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 m -123.88 138.06 54.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.782 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 41.6 m -110.36 146.22 36.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.009 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.4 tp -75.1 114.33 13.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.777 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.2 p -119.93 137.42 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.9 p -109.43 102.69 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -54.19 -100.87 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -98.05 -72.62 0.64 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.967 0.413 . . . . 0.0 110.464 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 -6.68 8.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.012 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.8 mt -106.17 164.89 4.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.986 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.759 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.4 mm -113.96 146.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.06 141.04 12.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.86 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.8 m-85 -84.45 111.58 19.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.46 123.47 34.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.08 97.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.42 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -176.66 126.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.763 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.534 ' ND2' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -62.89 144.2 96.96 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -51.52 134.08 45.17 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.532 2.154 . . . . 0.0 112.382 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.42 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 65.1 Cg_endo -73.75 168.9 23.62 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.454 2.103 . . . . 0.0 112.235 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.19 -31.92 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -143.11 94.06 2.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.816 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 17.8 mt -79.53 138.74 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER -73.93 -32.52 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.618 179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.529 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -90.3 158.08 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.818 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.76 -20.47 27.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.48 100.23 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.878 0.37 . . . . 0.0 110.98 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.423 ' OG ' HG12 ' A' ' 100' ' ' ILE . 4.3 p -92.91 173.79 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HG23 ' A' ' 99' ' ' ILE . 17.7 p30 -71.52 -18.71 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.457 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.42 HG23 ' OD1' ' A' ' 98' ' ' ASP . 17.9 pt -92.4 -30.72 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.618 0.246 . . . . 0.0 111.402 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.423 HG12 ' OG ' ' A' ' 97' ' ' SER . 29.3 mm -59.69 130.69 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.486 ' CE1' HD11 ' A' ' 125' ' ' LEU . 49.3 m-85 -122.74 140.4 52.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 118' ' ' SER . 2.5 m-85 -100.98 99.56 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.73 ' OE1' HG21 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -85.06 123.72 30.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.658 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.76 120.72 31.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 p -64.41 145.4 56.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.642 HG11 ' SD ' ' A' ' 150' ' ' MET . 41.4 t -96.86 132.11 26.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.72 172.16 13.61 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 124.01 -98.44 0.58 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.435 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -136.27 -50.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.55 -172.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.766 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.74 72.38 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.058 0.456 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -93.33 174.51 7.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.971 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.32 145.54 30.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.516 ' NE2' HD12 ' A' ' 149' ' ' ILE . 8.5 mt-30 -116.42 139.06 50.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.718 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 3.3 m-85 -101.77 118.97 38.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.8 OUTLIER -117.55 154.58 31.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.5 t -66.05 140.66 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.807 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 1.5 t -59.56 -30.69 68.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 62.9 m -64.0 -73.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.97 -170.36 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -75.22 -174.36 2.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.81 -19.75 52.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.579 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -141.13 123.29 15.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.435 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 17.1 m-85 -129.83 137.31 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 101' ' ' PHE . 7.1 mt -66.34 108.45 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.762 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.561 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -111.8 179.74 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 22.1 p -119.35 119.9 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.8 129.33 45.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.531 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.449 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -91.13 113.04 25.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.301 -179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -130.44 119.98 23.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.556 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 59.0 -118.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.673 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.509 0.195 . . . . 0.0 111.457 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.745 HD13 HD13 ' A' ' 29' ' ' LEU . 11.2 mt -129.52 157.53 41.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.947 0.403 . . . . 0.0 111.584 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.439 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -113.87 99.9 8.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.536 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -85.82 122.56 30.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.713 -178.662 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.4 tp -82.35 126.01 31.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.441 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.78 -179.93 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.25 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.759 ' HB2' HD11 ' A' ' 81' ' ' ILE . 24.3 tp -106.44 109.67 21.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.724 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.561 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 20.2 ptmt -142.82 171.58 13.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.995 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.41 101.01 7.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.791 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.57 167.26 4.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -79.96 -30.14 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.6 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -125.25 128.45 48.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.642 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.47 -23.27 65.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.58 25.98 20.34 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.164 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -88.97 120.06 30.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.655 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -53.2 -24.87 12.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.454 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.426 ' N ' ' HD2' ' A' ' 147' ' ' ARG . 2.5 m -58.22 -24.09 58.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.516 HD12 ' NE2' ' A' ' 114' ' ' GLN . 24.5 pt -114.64 15.94 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.469 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.642 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.2 mtt -108.97 128.23 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -118.15 177.84 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.77 129.52 47.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.73 HG21 ' OE1' ' A' ' 103' ' ' GLN . 17.7 t -116.29 132.97 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.08 161.78 32.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.75 132.08 34.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.08 111.69 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.927 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.534 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 2.5 t80 -45.66 156.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.146 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.86 153.65 24.82 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.712 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -86.01 133.57 33.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.532 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -93.44 -56.96 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.3 pt-20 -171.13 142.59 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 128.49 55.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -150.63 164.25 36.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mt -88.06 122.09 31.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.7 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -128.23 129.71 46.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 46' ' ' ILE . 21.4 t -81.52 128.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -111.17 103.18 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.843 ' HG2' HG22 ' A' ' 19' ' ' VAL . 36.4 mtt85 -98.85 157.18 16.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 7.5 t30 -95.29 -165.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.8 mm? -73.21 -29.37 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.805 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.75 11.54 22.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.373 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 t70 73.19 32.59 1.26 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -102.31 127.58 49.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.752 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 13' ' ' ARG . 34.3 t -87.2 137.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 30' ' ' PHE . 6.9 tp -62.34 136.99 58.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -145.8 159.52 43.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.628 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.6 mm -96.02 149.2 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.81 -176.83 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.797 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.4 -20.0 58.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.3 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.59 19.44 39.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.662 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.581 ' HA ' HG23 ' A' ' 22' ' ' ILE . 6.8 t-20 56.37 40.7 29.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.915 0.388 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -107.22 140.47 21.49 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.1 103.2 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.51 2.14 . . . . 0.0 112.266 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 135' ' ' LYS . 6.8 mt -121.88 138.78 54.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.643 ' CE2' HD13 ' A' ' 20' ' ' LEU . 77.1 m-85 -83.86 126.46 32.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -133.1 146.84 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -76.74 151.18 36.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.9 mtp -101.02 78.99 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.4 p -71.08 -55.78 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.695 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 43.4 43.49 4.37 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -97.47 -66.95 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -95.45 -45.62 7.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.3 t -67.28 -14.21 62.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.27 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -47.68 -34.09 7.69 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 111.334 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -66.32 -29.17 69.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.216 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.41 48.56 2.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.951 0.405 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' HB1' ' HE ' ' A' ' 44' ' ' ARG . . . -153.46 136.39 9.79 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.205 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -87.39 -51.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.767 2.311 . . . . 0.0 112.712 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HE ' ' HB1' ' A' ' 42' ' ' ALA . 17.2 mmt180 58.41 78.93 0.23 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 56.1 m -127.87 140.0 52.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -86.54 171.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.121 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.564 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.2 m-85 -77.99 156.67 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 111.053 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -81.74 138.14 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.031 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.44 HD12 HG13 ' A' ' 64' ' ' ILE . 23.7 mm -110.59 135.06 50.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -115.27 120.87 41.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.791 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -95.48 129.41 42.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 87.7 m-85 -99.73 158.32 15.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.463 ' HA ' HD12 ' A' ' 5' ' ' LEU . 26.3 tptt -88.69 111.77 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.796 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.51 131.66 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.42 53.0 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -86.24 155.27 57.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.02 -47.66 1.69 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.528 2.152 . . . . 0.0 112.333 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -150.01 97.85 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 165.0 132.94 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 ttp -108.42 111.19 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.331 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.23 109.35 14.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.791 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.2 m -130.8 167.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.461 ' HG1' ' HE2' ' A' ' 52' ' ' TYR . 1.1 p -142.68 126.02 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.44 HG13 HD12 ' A' ' 49' ' ' ILE . 3.8 mp -91.01 136.57 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 134.12 16.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.12 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.2 p -98.27 142.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.058 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -115.35 132.76 56.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.4 t -179.38 -141.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.576 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -46.23 -30.09 1.86 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.163 0.506 . . . . 0.0 110.325 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 124.97 4.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.054 179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mt -68.64 133.92 31.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.309 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -137.11 137.69 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.6 m -112.07 134.0 53.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD11 ' CG2' ' A' ' 81' ' ' ILE . 21.7 tp -60.49 110.02 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.425 ' HB3' HG22 ' A' ' 99' ' ' ILE . 10.9 p -122.07 129.6 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.5 p -100.19 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.81 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.35 -101.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -98.04 -67.96 0.82 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.454 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 -6.75 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.209 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -107.67 165.63 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 120.862 0.363 . . . . 0.0 110.936 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.684 HD11 ' HB2' ' A' ' 138' ' ' LEU . 34.4 mm -111.95 142.04 25.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 m -154.21 147.0 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.628 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 16.4 m-85 -90.02 109.73 20.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -90.61 123.83 34.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -67.09 98.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 2.3 ptm -176.93 133.77 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.432 ' O ' ' HE3' ' A' ' 86' ' ' MET . 8.1 p30 -71.05 147.91 94.02 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 46.9 Cg_exo -55.67 124.96 17.57 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.566 2.177 . . . . 0.0 112.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 38.3 Cg_exo -59.68 172.09 2.33 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.413 2.075 . . . . 0.0 112.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -110.27 -28.05 8.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -154.06 82.63 1.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.449 HD12 ' CD2' ' A' ' 2' ' ' PHE . 48.7 mt -65.25 148.97 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.97 37.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -158.67 153.64 25.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.732 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.1 m -83.97 -12.59 55.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.382 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 103.03 3.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.91 173.86 7.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.774 179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -79.03 -8.82 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.497 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.425 HG22 ' HB3' ' A' ' 75' ' ' SER . 21.8 pt -108.44 -27.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.709 0.29 . . . . 0.0 111.441 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' A' ' 97' ' ' SER . 47.8 mm -57.5 140.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 111.313 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -132.39 116.37 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -79.93 97.21 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.26 132.36 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.777 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 117.35 19.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.021 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -64.66 142.66 58.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.814 HG21 ' SD ' ' A' ' 150' ' ' MET . 36.8 t -94.29 135.05 24.73 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.13 -177.76 3.46 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.706 2.271 . . . . 0.0 112.544 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 118.42 -78.13 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -155.94 -59.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -168.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -129.8 70.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -91.26 173.97 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.19 143.58 28.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.041 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.539 ' OE1' HG22 ' A' ' 106' ' ' VAL . 33.4 mt-30 -114.07 128.16 56.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.801 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -85.99 109.64 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.741 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 2.6 tt0 -104.47 158.74 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 25.8 t -74.73 149.95 39.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.4 p -63.5 -43.0 98.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.4 t -56.2 -75.79 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.063 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.07 -171.36 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.008 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.93 36.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.448 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.77 -4.3 65.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.584 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.424 ' HB3' HD21 ' A' ' 138' ' ' LEU . 5.4 m-85 -150.13 140.6 22.42 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.757 0.313 . . . . 0.0 110.726 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 16.0 m-85 -134.63 130.84 37.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.055 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.4 mt -61.11 145.74 49.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.632 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 136' ' ' LEU . . . -151.71 174.84 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.119 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 132.06 53.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.39 119.75 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -76.96 103.25 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -122.0 107.01 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.638 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.0 mtt180 60.87 -115.08 0.63 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.596 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.7 17.57 21.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.579 0.228 . . . . 0.0 111.3 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.41 HD13 HD13 ' A' ' 29' ' ' LEU . 11.5 mt -135.77 142.57 44.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.915 0.388 . . . . 0.0 111.469 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.437 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -99.42 100.29 11.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.046 179.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.561 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -83.87 123.31 29.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.482 -179.395 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.643 ' HG ' HD22 ' A' ' 125' ' ' LEU . 4.7 tp -82.11 126.52 32.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.717 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.685 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -138.44 173.93 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.917 179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.684 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.5 tp -103.22 122.54 44.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.675 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -153.81 -177.61 6.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.433 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -120.91 95.55 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.529 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.868 ' CD ' HD13 ' A' ' 149' ' ' ILE . 14.0 pm0 -60.06 173.16 0.66 Allowed 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -79.87 -34.98 38.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -125.7 123.84 39.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.545 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.8 mt -66.31 -23.1 66.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.04 19.14 54.84 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.351 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -84.45 124.38 31.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.808 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.431 ' O ' HD21 ' A' ' 15' ' ' LEU . 16.2 ptt85 -55.83 -26.47 46.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.301 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.3 m -54.61 -34.22 61.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.473 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.868 HD13 ' CD ' ' A' ' 141' ' ' GLU . 9.3 pt -100.44 19.66 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.816 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.814 ' SD ' HG21 ' A' ' 106' ' ' VAL . 22.0 mtt -116.63 149.33 39.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.726 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -136.8 177.54 7.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.55 130.47 49.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.8 t -111.68 130.85 64.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -129.46 161.86 29.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.43 132.14 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.802 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.51 103.03 15.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.898 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.801 0.334 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -92.59 168.78 11.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.47 159.96 27.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 116.23 25.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 6' ' ' GLU . 0.9 OUTLIER -83.84 -64.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.621 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -177.06 138.32 0.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 p -112.22 115.91 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.597 ' HE3' ' HE1' ' A' ' 51' ' ' MET . 0.6 OUTLIER -135.2 -175.83 4.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 48' ' ' ILE . 18.5 mt -103.48 122.76 45.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.678 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -126.98 135.32 50.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 t -81.0 143.91 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.983 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.7 mt -124.62 110.44 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -118.49 134.25 55.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.356 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -99.47 -165.8 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.821 HD21 ' O ' ' A' ' 147' ' ' ARG . 1.2 mm? -57.94 -26.62 62.49 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -87.15 11.6 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.475 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 51.26 25.73 2.63 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.803 0.335 . . . . 0.0 111.507 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -99.2 134.11 42.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.448 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -83.67 129.8 36.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.299 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 13.2 tp -60.44 143.2 53.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.817 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' CE1' ' HG3' ' A' ' 44' ' ' ARG . 6.6 m-85 -156.68 165.09 37.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.082 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HA ' ' A' ' 26' ' ' ASN . 14.9 mm -93.27 151.35 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -176.82 3.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.66 -19.02 63.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.245 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -100.73 5.17 56.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' HA ' HG23 ' A' ' 22' ' ' ILE . 7.3 m-80 67.6 46.68 1.31 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.222 0.535 . . . . 0.0 110.184 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.709 ' HG3' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -116.86 147.83 40.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.089 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.35 95.89 1.01 Allowed 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.744 2.296 . . . . 0.0 112.24 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HG3' ' A' ' 27' ' ' ARG . 10.7 mt -121.15 140.84 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 20' ' ' LEU . 32.7 m-85 -83.81 141.63 31.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -137.92 148.61 45.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.67 136.8 43.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 45.0 mmm -143.51 143.49 31.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.9 p -71.45 -58.4 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.803 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.3 28.18 17.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.037 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.7 t -97.5 -69.47 0.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -93.87 -40.73 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 t -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -53.81 -32.47 52.82 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 111.011 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -96.24 23.45 6.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.359 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -179.69 39.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.89 0.376 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.39 143.35 97.82 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.53 -45.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.692 2.261 . . . . 0.0 112.3 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 1.7 ptm85 -111.79 113.29 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.7 t -83.54 153.42 24.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.177 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.678 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -64.41 -160.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.636 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.637 ' N ' HG23 ' A' ' 46' ' ' ILE . 53.8 m-85 -78.28 163.06 26.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.939 0.399 . . . . 0.0 111.065 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 65' ' ' SER . 4.4 mp -96.4 114.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm -86.57 131.05 35.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.99 104.33 11.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.66 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.66 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.0 mtm -81.03 128.21 33.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.023 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -102.66 134.28 46.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -73.32 105.88 4.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.2 p-10 -136.41 136.19 39.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.1 m -92.63 76.47 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -108.04 155.11 40.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.36 -46.12 19.51 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.508 2.139 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.85 101.87 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.08 128.38 0.98 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.3 ttp -97.97 109.9 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.95 117.64 20.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.66 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.0 m -139.85 169.48 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.254 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.805 HG21 HD12 ' A' ' 99' ' ' ILE . 2.3 p -147.73 113.41 5.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.775 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.7 mt -84.31 127.14 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.192 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.477 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.1 p -143.39 139.1 29.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.817 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG21 HG13 ' A' ' 22' ' ' ILE . 11.8 p -97.28 144.44 10.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -135.35 137.98 42.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.23 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.178 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.66 -27.5 14.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.964 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.36 123.14 2.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.295 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.49 119.87 8.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.334 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.5 t -133.38 146.35 51.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 m -123.76 139.8 53.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.501 HD11 ' CG2' ' A' ' 81' ' ' ILE . 7.6 tp -71.89 122.39 20.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 p -130.42 143.48 50.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.3 p -113.01 105.4 13.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.06 -100.0 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -97.98 -73.85 0.6 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.959 0.409 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.71 -6.72 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.017 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.0 mt -105.91 165.48 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.913 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.3 mm -111.39 143.37 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 p -154.16 151.82 29.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 22' ' ' ILE . 6.6 m-85 -95.33 120.25 35.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 115.5 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 98.48 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ptm -176.53 133.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.38 146.13 96.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.5 138.1 48.93 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.422 2.081 . . . . 0.0 112.274 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.74 170.63 19.58 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -101.25 -41.74 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.44 103.64 5.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.657 HG22 ' H ' ' A' ' 94' ' ' ASP . 40.3 mt -86.17 143.58 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -26.63 28.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.657 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.1 p30 -84.89 150.95 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -85.97 3.59 41.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.297 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.74 102.08 0.4 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.71 171.45 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -74.01 -21.33 60.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.805 HD12 HG21 ' A' ' 63' ' ' THR . 2.6 pt -94.88 -28.41 4.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.845 0.355 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 92' ' ' ILE . 38.4 mm -60.91 133.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.484 ' CE2' HD23 ' A' ' 74' ' ' LEU . 63.8 m-85 -129.52 143.21 50.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 18.0 m-85 -108.73 103.07 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.116 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -85.83 137.81 32.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 14.6 mmm-85 -142.11 120.85 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.105 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.38 159.66 6.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG11 ' SD ' ' A' ' 150' ' ' MET . 38.4 t -107.83 134.02 20.24 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.69 157.9 18.83 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.625 2.217 . . . . 0.0 112.41 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.83 45.75 91.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -162.37 -178.07 6.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.827 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.37 -75.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -160.08 71.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -103.89 165.52 10.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.986 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.2 154.45 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.025 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -123.89 132.17 53.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.822 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.496 ' HB3' HD12 ' A' ' 125' ' ' LEU . 11.7 m-85 -90.74 115.62 27.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.711 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -108.19 158.28 17.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.79 153.51 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 83.0 p -65.18 -40.86 94.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.008 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.2 t -56.44 -67.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.055 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -158.68 -171.57 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.49 37.59 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.347 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.67 66.63 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.625 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -150.18 138.54 20.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -123.45 138.06 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.801 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.6 mt -69.3 114.99 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -114.45 -178.41 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.9 p -122.22 124.25 43.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.52 ' HG3' HD13 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -98.97 127.43 44.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.91 101.11 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.727 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.83 110.29 19.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 60.71 -115.81 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -109.65 17.51 21.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.556 0.217 . . . . 0.0 111.28 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 29' ' ' LEU . 11.6 mt -132.05 141.48 49.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.082 0.468 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.44 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 2.2 m-85 -99.19 100.32 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.819 178.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.466 ' HG3' HD22 ' A' ' 29' ' ' LEU . 2.3 mttt -81.82 156.38 24.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.35 -179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' HG ' HD22 ' A' ' 125' ' ' LEU . 13.1 tp -99.47 124.82 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.801 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.6 pt -129.38 -179.68 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.37 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.913 ' HB2' HD11 ' A' ' 81' ' ' ILE . 6.4 tp -129.81 112.55 13.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.781 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -154.73 176.15 12.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.68 99.57 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.854 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.5 pm0 -60.28 175.22 0.45 Allowed 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.06 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -79.91 -38.63 32.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.81 126.1 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.812 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.547 ' O ' HD11 ' A' ' 149' ' ' ILE . 10.7 mt -65.51 -24.76 67.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.94 26.45 22.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.4 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.66 129.35 36.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.821 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.72 -29.7 59.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 p -53.91 -32.03 52.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.854 HD13 ' CD ' ' A' ' 141' ' ' GLU . 6.3 pt -106.81 24.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.013 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.439 ' SD ' HG11 ' A' ' 106' ' ' VAL . 17.5 mtt -117.61 137.44 52.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -131.6 164.65 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 138.81 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.774 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.7 t -117.93 140.63 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 161.73 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -90.42 132.78 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.02 90.02 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.4 t0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.944 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.471 ' CZ ' ' CB ' ' A' ' 52' ' ' TYR . 0.5 OUTLIER -149.3 158.55 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.55 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.82 174.42 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.396 -0.906 . . . . 0.0 112.935 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -94.68 132.67 39.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 110.825 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -92.57 -56.52 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.815 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.1 pt-20 -172.12 136.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.804 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.65 120.63 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -147.59 169.62 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 47' ' ' PHE . 10.1 mt -89.98 138.86 31.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.711 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -141.67 141.03 33.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.707 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.5 t -85.32 123.23 39.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 19' ' ' VAL . 40.6 mt -110.39 114.26 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 3.3 mtt180 -113.01 159.04 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' CZ ' ' A' ' 30' ' ' PHE . 2.5 t30 -99.16 -163.94 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.562 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.0 mm? -75.45 -29.02 59.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -89.96 11.62 19.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.36 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 t70 72.37 25.45 2.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -101.63 123.8 46.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.524 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.8 p -80.08 150.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.301 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 15.1 tp -74.13 138.0 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -147.21 155.62 42.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.658 HG23 ' HA ' ' A' ' 26' ' ' ASN . 10.3 mm -92.33 144.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -107.13 178.63 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.25 -24.16 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.72 33.42 6.07 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.401 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.658 ' HA ' HG23 ' A' ' 22' ' ' ILE . 5.3 p-10 45.48 44.33 9.62 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.909 0.385 . . . . 0.0 111.364 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -103.51 134.21 19.88 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.29 95.02 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.421 2.081 . . . . 0.0 112.185 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 135' ' ' LYS . 5.3 mt -111.44 152.87 26.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.407 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 52.0 m-85 -103.66 133.18 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -143.38 172.91 12.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.73 167.37 19.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.44 ' CG ' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -131.06 114.36 15.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 p -133.81 -91.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 40.75 47.48 2.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.819 0.342 . . . . 0.0 111.451 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -59.35 -39.05 81.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.219 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -95.53 -28.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.313 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.6 t -84.38 -18.14 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.48 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -40.1 68.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.154 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.42 -25.11 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.272 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -129.18 56.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 111.146 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -131.77 132.75 23.48 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.333 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 98.1 Cg_endo -90.7 -49.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.992 2.461 . . . . 0.0 113.01 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.56 163.8 0.07 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.917 0.389 . . . . 0.0 111.539 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -177.62 173.27 1.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.855 HD13 ' H ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -58.95 163.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.788 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.855 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -77.6 166.23 23.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.047 -179.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -84.05 148.22 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.377 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 48' ' ' ILE . 12.7 mm -121.14 112.82 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.68 107.11 19.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.819 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.2 mtm -82.62 127.64 33.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.772 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.471 ' CB ' ' CZ ' ' A' ' 2' ' ' PHE . 11.1 m-85 -101.91 157.78 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -84.03 115.37 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.775 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' OD1' ' HB3' ' A' ' 61' ' ' ALA . 5.1 p-10 -142.93 134.72 26.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -95.9 42.66 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -71.3 155.61 92.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.802 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -61.38 -56.72 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.5 2.133 . . . . 0.0 112.299 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -143.39 83.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.534 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . -179.73 142.0 4.97 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.421 -0.895 . . . . 0.0 113.026 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.9 ttm -111.39 118.32 35.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 110.667 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -80.83 125.7 30.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.267 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.819 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.0 m -144.26 169.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.539 ' CG2' HD13 ' A' ' 100' ' ' ILE . 81.9 p -144.63 115.47 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.19 135.13 25.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.837 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 139.26 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.829 0.347 . . . . 0.0 111.183 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 p -105.4 136.0 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.738 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -128.42 134.54 48.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.1 0.476 . . . . 0.0 111.443 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -179.51 -85.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.891 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -93.5 -24.07 18.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.188 0.518 . . . . 0.0 109.667 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -157.93 127.72 6.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.848 179.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 mt -78.37 117.81 24.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.942 0.401 . . . . 0.0 111.312 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -128.57 143.76 51.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 m -126.5 135.81 51.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.608 HD11 ' CG2' ' A' ' 81' ' ' ILE . 41.0 tp -65.02 124.49 22.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -134.06 139.86 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.4 p -114.39 102.54 10.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.81 -99.85 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -98.07 -72.74 0.64 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.895 0.379 . . . . 0.0 110.478 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -122.48 -6.69 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.999 179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.1 mt -106.89 165.65 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.066 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 138' ' ' LEU . 40.7 mm -111.92 145.36 18.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.986 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -158.0 141.13 15.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -87.93 113.77 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.96 123.74 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.17 97.89 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE2' HD13 ' A' ' 99' ' ' ILE . 1.6 ptm 179.93 138.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -71.79 149.19 92.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.83 135.47 41.48 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.461 2.107 . . . . 0.0 112.174 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.67 161.56 30.71 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.415 2.077 . . . . 0.0 112.408 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -88.17 -31.18 19.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.825 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -146.15 125.82 13.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mt -106.22 147.26 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 29.64 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.925 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -140.74 156.28 46.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -7.35 56.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.327 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.35 104.22 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.803 0.335 . . . . 0.0 111.039 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.413 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 169.61 10.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.808 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 -76.9 -24.37 52.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.7 pt -92.65 -30.8 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.275 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.539 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.5 mm -59.38 134.1 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.276 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.768 ' CE1' HD11 ' A' ' 125' ' ' LEU . 30.4 m-85 -122.52 151.91 40.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.624 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.8 m-85 -111.02 92.08 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.39 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.736 ' OE1' HG21 ' A' ' 153' ' ' VAL . 8.1 tt0 -93.33 115.99 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.331 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.534 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpt180 -126.22 146.6 49.92 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.17 155.92 35.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.801 HG21 ' SD ' ' A' ' 150' ' ' MET . 47.2 t -108.27 134.06 20.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.091 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.84 139.69 12.41 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.701 2.267 . . . . 0.0 112.43 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 109' ' ' HIS . . . 84.26 37.78 10.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 61.0 m80 -157.78 -173.92 4.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.713 0.292 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.16 -74.17 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -160.04 45.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -78.47 162.56 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.438 ' HA ' ' O ' ' A' ' 104' ' ' ARG . 8.2 mmt -133.81 169.24 17.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.92 129.04 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.423 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.653 ' HB3' HD12 ' A' ' 125' ' ' LEU . 7.4 m-85 -90.06 118.89 29.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 9.4 tt0 -119.44 158.78 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -62.72 147.56 49.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 86.4 p -58.35 -43.78 88.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.4 t -58.58 -76.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.02 -167.42 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.5 -174.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 109.15 -33.76 5.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.551 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -135.09 121.12 19.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.981 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 10.9 m-85 -119.69 137.33 53.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.9 mt -68.87 119.66 13.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.743 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -124.56 172.7 9.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.949 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 19.4 p -105.82 126.42 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.401 ' HB2' HG12 ' A' ' 137' ' ' ILE . 2.7 tt0 -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.006 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.01 96.33 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.823 179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -105.62 99.18 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 61.78 -110.64 0.4 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -109.68 17.4 21.33 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.504 0.193 . . . . 0.0 111.378 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.5 mt -136.13 142.53 44.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.002 0.429 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.465 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 36.3 m-85 -96.88 101.57 13.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.096 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.401 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -90.94 128.83 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.38 -179.278 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 52.2 tp -65.89 146.79 54.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.694 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.842 ' O ' HD23 ' A' ' 125' ' ' LEU . 2.0 pt -155.43 -179.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.773 ' HB2' HD11 ' A' ' 81' ' ' ILE . 7.5 tp -126.34 114.98 18.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -151.97 -176.95 5.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.48 99.2 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.691 ' HG3' HG23 ' A' ' 149' ' ' ILE . 36.6 mm-40 -62.66 178.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.88 -28.63 39.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.794 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.48 125.27 36.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.744 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.38 -26.17 68.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.87 26.84 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.3 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.17 123.45 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -27.28 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.7 m -54.6 -30.19 53.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.817 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.743 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.6 pt -105.66 16.55 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.801 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtt -111.42 153.18 26.46 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 5.6 m-85 -138.93 177.83 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.3 140.31 52.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.783 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.736 HG21 ' OE1' ' A' ' 103' ' ' GLN . 10.5 t -124.32 139.71 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -136.44 161.81 34.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.748 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.29 133.04 33.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.28 106.73 17.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 121.004 0.43 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.551 ' HD2' HD12 ' A' ' 92' ' ' ILE . 1.5 t80 -44.78 164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.867 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -154.7 -179.19 29.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.28 -0.962 . . . . 0.0 112.996 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 50' ' ' SER . 0.0 OUTLIER -100.12 133.07 45.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 111.036 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -92.38 -52.18 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.772 179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 179.22 142.39 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 132.3 56.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -152.18 176.68 11.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -96.9 130.37 44.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -134.17 135.33 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.509 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 t -81.41 126.06 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -106.2 117.33 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -120.91 142.66 49.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.757 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.422 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 29.1 p-10 -91.88 -171.41 2.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.954 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 150' ' ' MET . 3.3 mm? -68.26 -20.31 64.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.359 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.95 11.46 18.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.497 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t0 63.75 28.32 14.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.895 0.379 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -109.61 144.73 37.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.691 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -86.28 149.66 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.925 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.1 tp -77.61 144.94 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 29' ' ' LEU . 6.1 p90 -156.53 152.19 27.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.91 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 11.1 mm -89.08 143.12 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.01 -179.28 4.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -59.69 -20.5 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.07 21.32 31.72 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.686 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.647 ' HA ' HG23 ' A' ' 22' ' ' ILE . 8.7 m-20 57.25 50.11 12.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.877 0.37 . . . . 0.0 110.998 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -115.96 139.5 25.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' O ' HD23 ' A' ' 29' ' ' LEU . 86.9 Cg_endo -78.16 108.59 2.53 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.591 2.194 . . . . 0.0 112.345 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' ' 20' ' ' LEU . 11.2 mt -123.67 155.82 37.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.925 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 57.0 m-85 -114.62 123.78 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 10.7 mt-10 -149.21 172.09 15.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -72.34 159.13 34.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.4 mtm -106.58 136.94 45.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.2 p -110.63 -75.91 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.08 38.41 26.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.31 -62.17 1.29 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.964 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -95.42 -43.04 8.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.81 -14.71 62.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -51.14 -39.61 56.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.875 0.369 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -67.17 -29.64 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.066 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -113.16 40.47 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . . . -127.31 129.6 23.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.063 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ALA . 55.8 Cg_endo -91.54 -63.24 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.803 2.336 . . . . 0.0 112.708 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -107.56 170.8 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.958 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -109.49 -89.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.792 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.506 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -99.51 -174.12 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.548 0.213 . . . . 0.0 110.827 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 46' ' ' ILE . 6.4 m-85 -78.22 165.29 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.998 0.428 . . . . 0.0 111.107 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.9 mp -95.66 129.75 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.07 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.6 mm -100.72 117.74 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 1.3 m -103.37 121.25 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.042 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.824 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.3 mtm -96.33 133.63 40.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CE2' HD11 ' A' ' 92' ' ' ILE . 4.8 m-85 -103.88 151.78 22.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -85.42 123.16 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -111.56 156.89 21.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.963 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 p -68.82 -64.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -97.38 145.24 29.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.5 79.44 2.5 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.537 2.158 . . . . 0.0 112.25 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.87 87.43 2.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.67 140.25 8.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.5 ttp -85.64 109.31 18.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.957 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.18 99.7 7.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.824 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.5 m -129.15 167.45 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.128 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 100' ' ' ILE . 55.7 p -146.41 128.5 15.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.8 mp -89.92 122.92 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.684 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 p -127.66 132.75 49.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 0.0 111.274 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 66' ' ' VAL . 12.4 p -101.62 124.14 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' HG2' HG23 ' A' ' 71' ' ' ILE . 31.1 mtpt -116.49 138.53 51.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.12 0.486 . . . . 0.0 111.346 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -176.14 -85.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.217 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' C ' ' HG3' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -90.82 -35.39 14.85 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HG3' ' C ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -148.45 126.14 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.132 179.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.795 HG21 ' OD1' ' A' ' 87' ' ' ASN . 18.8 mt -64.08 116.83 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.0 t -127.74 156.88 41.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.8 m -130.91 143.57 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.75 109.33 6.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.584 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 135.08 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.147 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.6 p -102.67 101.7 11.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.685 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -157.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.68 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -41.58 -30.06 0.2 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.789 0.328 . . . . 0.0 111.717 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -32.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 81' ' ' ILE . 15.1 mt -74.89 159.75 5.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.878 HD11 ' HB2' ' A' ' 138' ' ' LEU . 38.2 mm -103.41 127.49 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.748 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.0 m -145.56 149.32 34.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.057 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.91 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 13.7 m-85 -92.19 117.48 29.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.713 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.67 134.17 51.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.61 106.34 7.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.9 ptm -178.15 118.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.795 ' OD1' HG21 ' A' ' 71' ' ' ILE . 6.8 t30 -63.07 149.52 90.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.59 128.59 30.05 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.518 2.145 . . . . 0.0 112.184 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.99 158.19 53.04 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.394 2.063 . . . . 0.0 112.284 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -93.13 -33.39 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -143.96 93.84 2.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.597 HG22 ' H ' ' A' ' 94' ' ' ASP . 25.3 mt -75.27 123.88 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.41 ' HA ' ' CD2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -56.6 -26.98 57.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.597 ' H ' HG22 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -108.59 158.08 17.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.1 m -82.62 -19.16 38.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.228 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.28 101.79 5.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.958 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.406 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 163.28 13.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.789 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -64.84 -21.78 66.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.9 pt -93.65 -30.09 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.812 0.339 . . . . 0.0 111.283 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 92' ' ' ILE . 40.7 mm -58.69 142.3 14.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.977 0.418 . . . . 0.0 111.242 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 125' ' ' LEU . 32.2 m-85 -131.1 148.6 52.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.72 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.2 m-85 -107.11 99.57 9.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.142 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' CZ ' ' A' ' 115' ' ' PHE . 31.1 tt0 -92.38 129.76 38.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.545 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.243 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.23 149.82 1.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.661 HG21 ' SD ' ' A' ' 150' ' ' MET . 38.7 t -98.71 131.87 24.96 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.24 -173.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.395 2.063 . . . . 0.0 112.25 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.0 -132.82 11.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.544 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -121.4 -43.55 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -59.32 -178.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -125.21 70.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.407 ' HD2' HG23 ' A' ' 152' ' ' THR . 14.4 mmmm -101.01 164.92 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.0 mmt -126.74 151.8 47.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -117.65 122.65 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.762 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.434 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 9.7 m-85 -95.48 113.48 25.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.2 tt0 -115.63 158.86 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.947 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.16 141.41 55.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 1.1 p -57.32 -28.4 63.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.985 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.408 ' O ' ' CG ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER -160.63 91.08 0.89 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.516 0.198 . . . . 0.0 111.071 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 120' ' ' TYR . 8.8 pt-20 44.75 -173.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.248 0.547 . . . . 0.0 111.692 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 108.99 -48.46 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.521 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -133.81 120.11 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 8.0 m-85 -107.5 155.89 19.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.785 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -79.85 110.57 15.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -113.15 175.1 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.6 p -114.78 117.72 31.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' A' ' 137' ' ' ILE . 5.6 tt0 -92.3 127.46 37.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.015 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -84.11 94.23 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.814 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -103.25 104.7 14.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.809 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 61.49 -112.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.671 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 120.575 0.226 . . . . 0.0 111.225 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 mt -134.42 142.91 47.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 111.303 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.445 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.6 OUTLIER -98.86 100.39 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.259 179.456 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.455 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.1 mttt -88.07 129.57 35.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.568 HD11 HD22 ' A' ' 125' ' ' LEU . 23.0 tp -68.8 145.08 54.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.791 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.807 ' O ' HD23 ' A' ' 125' ' ' LEU . 16.1 pt -151.24 -179.7 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.407 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.878 ' HB2' HD11 ' A' ' 81' ' ' ILE . 5.4 tp -133.57 115.44 14.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.799 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -156.72 173.67 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.54 ' HE3' HD21 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.56 95.76 8.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.85 ' CD ' HD13 ' A' ' 149' ' ' ILE . 5.2 pm0 -60.48 172.87 0.79 Allowed 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -80.02 -37.11 34.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.92 124.31 39.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.686 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.54 HD21 ' HE3' ' A' ' 140' ' ' LYS . 20.2 mt -68.86 -23.41 64.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.237 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.92 21.05 45.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.42 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.84 127.75 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.332 . . . . 0.0 110.975 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -27.87 61.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.72 -29.2 38.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.85 HD13 ' CD ' ' A' ' 141' ' ' GLU . 3.1 pt -108.04 22.2 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.238 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.661 ' SD ' HG21 ' A' ' 106' ' ' VAL . 25.7 mtt -113.38 148.22 36.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -131.86 161.85 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.407 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -118.64 126.18 51.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -117.63 133.6 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.101 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -123.72 161.63 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -90.75 131.46 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.29 86.37 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.908 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.412 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 1.4 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.827 0.346 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.37 152.88 47.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.45 145.65 13.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -77.52 125.27 29.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.4 tt -84.21 -55.73 4.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.6 pt-20 -175.96 143.41 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 93.5 p -111.01 114.5 27.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HZ1' ' HA ' ' A' ' 155' ' ' ASN . 1.3 pttp -134.93 -175.85 4.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.821 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.58 127.0 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.663 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.2 134.29 47.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.439 179.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 t -81.1 134.49 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 111.132 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.8 mt -119.14 114.45 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.169 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -112.51 160.87 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 9.7 t30 -106.68 -170.69 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.6 mm? -66.4 -29.05 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.984 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -89.62 11.57 19.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t70 68.4 30.46 5.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -104.89 141.16 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.2 t -84.46 140.56 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.11 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD13 ' CE1' ' A' ' 30' ' ' PHE . 15.8 tp -66.53 136.45 55.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.59 156.17 47.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.5 mm -100.46 153.5 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.96 -178.76 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -60.08 -20.37 57.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -105.37 19.95 38.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.719 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.438 ' HA ' HG23 ' A' ' 22' ' ' ILE . 4.0 m-80 58.56 30.78 20.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.81 0.338 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -93.38 132.35 30.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.13 94.93 0.97 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.551 2.167 . . . . 0.0 112.4 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 133' ' ' LEU . 3.4 mt -113.47 136.84 52.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.681 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE1' HD13 ' A' ' 20' ' ' LEU . 61.2 m-85 -83.9 145.19 28.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.024 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -148.62 167.24 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.82 155.11 17.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 59.6 mtp -139.45 105.58 5.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 p -92.23 168.44 11.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.12 35.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.2 m -97.06 -57.54 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.78 -31.54 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 3.0 t -78.44 -10.96 59.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.682 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.17 -25.64 9.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.716 0.293 . . . . 0.0 111.359 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -58.8 86.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.123 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t30 61.54 47.39 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.071 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 38' ' ' CYS . . . -76.97 139.99 66.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -86.62 -55.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.62 2.213 . . . . 0.0 112.777 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.81 93.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.8 m -138.19 103.05 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.249 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.663 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -74.88 -168.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.372 179.534 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' HG23 ' A' ' 46' ' ' ILE . 20.1 m-85 -78.24 157.29 29.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.8 mp -86.76 137.81 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.596 HD12 HG13 ' A' ' 64' ' ' ILE . 23.0 mm -114.17 124.52 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.075 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.37 107.48 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.687 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.07 129.37 34.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -98.59 147.89 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 5' ' ' LEU . 8.8 tptt -82.78 123.29 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -142.31 150.02 40.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -94.55 45.28 1.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -96.16 145.03 28.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.78 -45.36 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.568 2.179 . . . . 0.0 112.365 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -136.58 90.3 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.8 123.24 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -103.79 103.91 13.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.091 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 116.01 19.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.779 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.687 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.6 m -132.66 170.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.42 . . . . 0.0 111.61 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.556 ' CG2' HD13 ' A' ' 100' ' ' ILE . 59.4 p -146.34 104.36 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.644 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.596 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -77.8 136.32 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.024 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.25 142.86 22.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.8 p -98.33 138.81 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.819 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.64 133.75 48.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.51 . . . . 0.0 111.31 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.65 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -93.11 -28.46 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.164 0.507 . . . . 0.0 109.89 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -158.68 126.22 5.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.128 179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.1 118.41 10.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 0.0 111.387 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.4 t -131.82 152.25 51.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.905 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 64' ' ' ILE . 21.1 m -127.08 141.73 51.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.969 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.57 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.8 tp -68.06 100.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.611 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.86 127.32 43.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.931 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.481 ' HA ' HD13 ' A' ' 81' ' ' ILE . 22.1 p -102.81 101.35 11.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.45 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -44.32 -69.1 0.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.801 0.334 . . . . 0.0 111.434 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.448 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -131.07 -6.65 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.787 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 81' ' ' ILE . 4.8 mt -102.98 163.18 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.973 0.416 . . . . 0.0 111.308 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.7 mm -120.62 139.71 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.825 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -159.01 144.57 16.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.941 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.0 m-85 -81.7 109.1 15.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.652 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -91.28 120.89 32.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.93 97.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.405 ' HE1' HD13 ' A' ' 99' ' ' ILE . 1.2 ptm -171.11 141.78 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.694 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.404 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.2 OUTLIER -80.93 142.79 52.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.599 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.25 127.77 23.19 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.478 2.119 . . . . 0.0 112.414 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.15 161.17 43.81 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.401 2.067 . . . . 0.0 112.248 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -39.86 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -140.85 111.51 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.032 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.44 HG21 ' OG ' ' A' ' 97' ' ' SER . 21.5 mt -88.68 136.3 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.4 OUTLIER -68.04 -41.95 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -88.07 155.52 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -79.97 -22.82 42.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 100.12 6.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.44 ' OG ' HG21 ' A' ' 92' ' ' ILE . 0.5 OUTLIER -92.85 160.98 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.43 -19.88 61.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' HE1' ' A' ' 86' ' ' MET . 27.0 pt -95.58 -13.88 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.463 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.556 HD13 ' CG2' ' A' ' 63' ' ' THR . 38.6 mm -81.64 137.31 21.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -131.41 141.71 49.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -95.85 102.98 14.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.496 ' NE2' HG21 ' A' ' 153' ' ' VAL . 13.7 tt0 -87.16 131.25 34.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.762 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -140.94 117.23 10.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.01 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 p -57.5 161.63 3.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.714 HG21 ' SD ' ' A' ' 150' ' ' MET . 43.8 t -109.88 137.05 20.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.897 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 106' ' ' VAL . 73.4 Cg_endo -78.88 175.58 10.81 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.782 2.321 . . . . 0.0 112.75 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.58 ' O ' ' HB2' ' A' ' 109' ' ' HIS . . . 104.95 12.58 27.41 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.66 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 3.3 m-70 83.07 3.2 1.0 Allowed 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 122.884 0.474 . . . . 0.0 110.207 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.45 -174.81 4.83 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.936 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -138.12 28.57 2.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -85.21 166.39 16.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.7 mmt -137.14 158.01 45.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.735 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -126.05 133.78 51.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.405 ' CE1' ' HG3' ' A' ' 103' ' ' GLN . 44.5 m-85 -102.61 110.91 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' HG3' ' CE2' ' A' ' 124' ' ' PHE . 16.3 tt0 -102.95 157.64 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.07 136.06 55.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.5 p -56.48 -38.63 71.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.24 -66.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -157.41 -168.04 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 25.47 2.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.332 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.45 -21.29 72.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -149.94 163.62 37.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 0.0 110.774 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 116' ' ' GLU . 37.5 m-85 -141.34 143.21 33.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 136' ' ' LEU . 1.8 mt -67.06 123.0 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.693 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.527 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -135.0 162.83 31.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.43 134.23 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -113.38 129.89 56.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.447 ' CG ' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -78.44 116.56 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.411 179.578 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 5.0 mt-10 -117.8 87.74 2.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.173 0.511 . . . . 0.0 111.522 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 63.78 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.721 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -110.29 -9.06 14.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.505 HD13 HD13 ' A' ' 29' ' ' LEU . 10.2 mt -119.57 138.81 52.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.968 0.413 . . . . 0.0 112.019 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.447 ' CE2' ' CG ' ' A' ' 129' ' ' LYS . 7.6 m-85 -98.25 100.29 11.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.652 178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.524 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -83.72 170.77 13.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.969 0.414 . . . . 0.0 111.435 -178.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 125' ' ' LEU . 3.5 tp -128.72 133.75 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.838 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.422 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -144.91 178.18 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.098 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.86 ' HB2' HD11 ' A' ' 81' ' ' ILE . 10.8 tp -107.38 112.52 25.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.569 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -146.36 176.76 9.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 111.177 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.431 ' HZ1' ' CD2' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -116.34 94.79 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.655 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.862 ' CD ' HD13 ' A' ' 149' ' ' ILE . 9.6 pm0 -60.47 178.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.027 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.57 -33.46 21.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.91 123.62 40.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.468 ' O ' HD11 ' A' ' 149' ' ' ILE . 9.0 mt -68.49 -22.2 64.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.78 23.41 34.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.235 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.55 126.84 36.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.83 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -29.22 57.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -53.86 -27.41 29.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.862 HD13 ' CD ' ' A' ' 141' ' ' GLU . 8.7 pt -110.3 22.2 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.231 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.714 ' SD ' HG21 ' A' ' 106' ' ' VAL . 7.0 mtm -120.91 133.71 55.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.95 177.83 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 136.38 54.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.496 HG21 ' NE2' ' A' ' 103' ' ' GLN . 13.4 t -132.04 127.82 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -132.37 161.83 32.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . 0.458 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.5 m-20 -84.14 130.27 34.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 95.52 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.968 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.891 0.377 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -65.69 155.77 35.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.964 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.27 159.54 22.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -85.67 108.56 18.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.611 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.4 tt -68.93 -59.0 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.4 pt-20 -176.5 124.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 114.59 26.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.569 ' HG2' ' HE3' ' A' ' 51' ' ' MET . 3.0 pttm -147.0 -175.85 4.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.3 mt -102.79 131.57 49.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.568 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -132.14 136.8 47.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.542 179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.26 128.45 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.118 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.7 mt -107.76 116.77 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -117.16 155.1 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.81 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.98 -176.51 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.043 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.632 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.4 mm? -60.4 -22.27 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.34 12.24 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.355 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.29 21.6 6.88 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-O 120.984 0.421 . . . . 0.0 111.536 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -91.89 -169.99 2.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.31 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.0 t -128.43 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.905 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 17.1 tp -66.52 132.66 48.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.88 158.79 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.714 HD11 ' CE1' ' A' ' 83' ' ' PHE . 8.0 mm -105.47 149.83 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -109.92 -179.19 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -55.44 -23.04 23.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.33 28.49 15.7 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.588 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.2 p-10 45.37 30.59 0.72 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.868 0.366 . . . . 0.0 111.519 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -90.83 136.3 27.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.77 96.8 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.492 2.128 . . . . 0.0 112.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.569 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.4 mt -114.64 148.19 38.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.905 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 24.5 m-85 -103.14 128.59 50.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -153.92 156.15 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.51 167.32 15.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.81 107.85 11.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -119.55 -81.69 0.63 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.792 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 43.03 52.34 5.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.909 0.385 . . . . 0.0 111.368 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.41 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 1.8 m -50.72 -58.3 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.432 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -60.02 -19.43 52.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.659 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.33 -19.01 23.41 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' A' ' 36' ' ' SER . 94.6 mtt180 -47.73 -50.79 24.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.389 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.78 -25.63 68.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.289 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -130.23 54.7 1.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.74 142.42 15.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.296 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.98 -44.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.747 2.298 . . . . 0.0 112.475 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.13 96.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.781 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.8 m -150.63 117.86 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.568 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -65.24 -173.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.558 ' CD1' HG23 ' A' ' 66' ' ' VAL . 8.4 m-85 -78.05 152.75 32.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.855 HD13 ' HE2' ' A' ' 67' ' ' LYS . 4.7 mp -75.15 135.03 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 64' ' ' ILE . 26.2 mm -114.92 119.82 62.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -102.12 113.68 27.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.821 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.4 mtm -87.98 122.78 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.419 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 51.3 m-85 -98.05 136.93 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' HD12 ' A' ' 5' ' ' LEU . 27.6 tptt -75.98 121.07 22.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -106.7 152.67 23.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.797 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.89 -51.67 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -86.0 145.04 40.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.79 42.54 0.89 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.8 2.333 . . . . 0.0 112.65 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 mmt-85 -115.1 79.63 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.492 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 102.14 142.23 12.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.735 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 31.5 ttp -93.56 120.64 34.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.11 119.46 22.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.821 HG12 ' HG3' ' A' ' 51' ' ' MET . 29.7 m -139.84 170.55 15.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.36 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.9 p -148.98 119.21 7.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 49' ' ' ILE . 3.1 mt -87.67 129.29 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 p -139.58 126.79 21.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.06 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.558 HG23 ' CD1' ' A' ' 47' ' ' PHE . 11.2 p -89.35 140.44 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.855 ' HE2' HD13 ' A' ' 48' ' ' ILE . 11.9 mttm -134.38 138.49 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.005 0.431 . . . . 0.0 111.465 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.3 t 178.48 -76.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.097 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -96.79 -27.81 14.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.05 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -163.81 126.77 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.12 179.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.636 HD13 ' NZ ' ' A' ' 67' ' ' LYS . 19.7 mt -61.96 125.03 17.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.334 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -137.95 127.92 25.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.781 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.8 m -105.6 140.11 39.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.678 HD11 ' CG2' ' A' ' 81' ' ' ILE . 29.1 tp -68.6 113.36 6.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.22 127.88 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.3 p -97.75 101.44 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.462 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -64.59 -155.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -42.0 -30.97 0.3 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.841 0.353 . . . . 0.0 111.611 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.11 -32.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.462 HD12 ' OE2' ' A' ' 77' ' ' GLU . 7.8 mt -79.17 145.16 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.979 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.891 HD11 ' HB2' ' A' ' 138' ' ' LEU . 32.5 mm -95.87 138.8 20.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 71.1 m -156.34 139.09 15.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.714 ' CE1' HD11 ' A' ' 22' ' ' ILE . 31.5 m-85 -81.36 105.77 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -85.56 123.01 30.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.29 98.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptm -173.84 133.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.38 132.83 94.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 135.06 59.29 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.395 2.063 . . . . 0.0 112.297 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.07 176.61 9.91 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.346 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -111.96 -37.27 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -134.87 97.13 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.649 HG22 ' H ' ' A' ' 94' ' ' ASP . 17.4 mt -81.91 122.28 36.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.65 -17.86 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.332 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.649 ' H ' HG22 ' A' ' 92' ' ' ILE . 70.8 m-20 -99.41 158.14 15.93 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.866 0.365 . . . . 0.0 110.781 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -3.73 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.431 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.74 99.71 1.87 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.861 0.363 . . . . 0.0 111.335 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.412 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -93.31 151.6 19.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.682 179.508 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.01 -25.66 58.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.943 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 pt -87.33 -30.84 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.7 mm -61.25 129.09 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -123.93 150.18 45.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.717 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.27 97.19 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.756 ' OE1' HG21 ' A' ' 153' ' ' VAL . 36.0 tt0 -96.01 112.62 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.455 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.492 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.1 tpt85 -128.09 148.12 50.56 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.105 0.478 . . . . 0.0 111.146 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.409 ' CB ' ' HE1' ' A' ' 113' ' ' MET . 0.2 OUTLIER -63.28 155.89 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 179.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.3 t -109.11 136.32 20.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.19 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.39 139.23 10.23 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.738 2.292 . . . . 0.0 112.371 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 87.05 39.55 7.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -162.17 -176.27 5.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.787 0.327 . . . . 0.0 110.754 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.24 -74.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.02 58.29 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -90.0 161.67 15.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.409 ' HE1' ' CB ' ' A' ' 105' ' ' SER . 14.0 mmt -127.01 164.98 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.976 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.422 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.2 tt0 -136.05 128.17 29.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.543 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' GLN . 9.0 m-85 -92.4 115.31 27.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 21.6 tt0 -112.35 157.03 21.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.36 145.32 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 76.0 p -64.43 -43.19 95.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -68.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.972 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -158.09 -178.01 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.001 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -175.99 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 103.4 -25.63 26.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.408 ' HB3' HD21 ' A' ' 138' ' ' LEU . 16.4 m-85 -131.33 115.32 16.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 114' ' ' GLN . 23.2 m-85 -118.88 142.58 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 137' ' ' ILE . 4.6 mt -68.29 117.51 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.667 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -125.89 176.84 6.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.275 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.4 p -111.07 131.15 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -110.68 135.64 50.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.56 98.86 8.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.751 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.77 103.23 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 61.45 -114.01 0.54 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.288 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -109.59 17.47 21.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.651 0.262 . . . . 0.0 111.035 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -129.01 143.58 50.91 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.063 0.459 . . . . 0.0 111.56 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -96.97 100.26 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.847 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.569 ' HG3' HD22 ' A' ' 29' ' ' LEU . 5.6 mttt -89.08 168.89 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 111.354 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.472 ' CG ' HD22 ' A' ' 125' ' ' LEU . 2.1 tp -121.66 126.23 48.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.739 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.518 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -136.08 -179.98 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.891 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.0 tp -109.28 110.77 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.332 . . . . 0.0 110.605 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -150.01 179.08 8.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.8 103.88 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.714 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.668 ' HG3' HG23 ' A' ' 149' ' ' ILE . 4.5 mm-40 -60.43 175.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 -29.25 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.537 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -124.91 123.95 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.63 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.9 mt -65.37 -26.23 67.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.46 26.78 18.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.313 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -86.63 120.64 28.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.721 0.296 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.632 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.6 -24.66 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.163 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.33 -30.96 61.27 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.924 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.668 HG23 ' HG3' ' A' ' 141' ' ' GLU . 13.7 pt -101.6 13.01 6.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.392 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 23.1 mtt -106.62 141.71 37.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.816 0.341 . . . . 0.0 110.79 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -128.48 159.54 35.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.79 124.83 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.64 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.756 HG21 ' OE1' ' A' ' 103' ' ' GLN . 6.9 t -118.18 129.88 73.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.75 161.83 28.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.771 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -80.53 130.07 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.56 109.91 19.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.817 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.767 0.317 . . . . 0.0 111.298 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.726 ' CD2' HD12 ' A' ' 92' ' ' ILE . 2.9 t80 -122.2 151.14 41.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.589 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.96 171.46 36.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.437 -0.887 . . . . 0.0 112.892 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -84.57 138.26 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.982 0.42 . . . . 0.0 111.186 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.66 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.1 tt -98.5 -62.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.3 pt-20 -167.45 142.49 3.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.68 55.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.86 -178.8 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 mt -109.32 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.013 0.435 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.635 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -128.07 138.97 52.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.471 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.99 123.05 37.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.044 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 46' ' ' ILE . 77.4 mt -102.47 102.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -105.36 153.48 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.777 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' HB2' ' CD1' ' A' ' 30' ' ' PHE . 7.9 t30 -103.51 -168.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.043 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -71.16 -27.42 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.5 11.47 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.342 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 t70 68.9 31.33 4.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.736 0.303 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -105.83 143.24 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -91.81 138.18 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 11.4 tp -57.9 146.45 32.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -151.99 160.68 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.834 HD11 ' CE2' ' A' ' 83' ' ' PHE . 8.7 mm -105.04 154.07 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -118.25 177.28 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -22.91 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.212 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.67 27.66 18.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.2 p30 45.5 44.59 9.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.373 . . . . 0.0 111.401 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -107.19 137.96 19.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.1 Cg_endo -75.1 94.93 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.423 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.618 HD22 ' HG3' ' A' ' 135' ' ' LYS . 0.9 OUTLIER -110.97 140.79 45.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.791 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 21.0 m-85 -89.53 123.58 33.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.46 151.77 51.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -74.56 137.87 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmm -117.84 101.85 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.8 p -113.47 -77.35 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 56.38 40.06 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -55.12 -44.26 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -95.59 -28.36 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 t -79.67 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.458 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -51.78 -33.74 36.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.857 0.36 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.05 -29.92 71.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -133.64 38.16 3.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.94 135.77 21.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.91 -56.84 1.19 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.484 2.123 . . . . 0.0 112.201 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 60.61 78.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.785 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.6 m -155.84 94.95 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.635 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -63.87 -167.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.589 179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 46' ' ' ILE . 21.7 m-85 -78.31 161.46 27.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.828 0.347 . . . . 0.0 110.967 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 48' ' ' ILE . 3.9 mp -91.37 132.97 34.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.0 mm -105.99 114.29 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.83 113.62 25.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.173 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.839 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.2 mtm -89.87 129.61 36.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.612 ' CE2' HD11 ' A' ' 92' ' ' ILE . 20.8 m-85 -100.25 154.05 18.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 111.04 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' A' ' 5' ' ' LEU . 4.5 tptt -88.61 117.8 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.65 149.37 29.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -96.25 42.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.05 154.0 94.33 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.121 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -63.75 -57.15 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.595 2.197 . . . . 0.0 112.547 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -155.28 100.05 2.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.087 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 169.96 111.42 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.4 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.6 ttp -73.15 105.94 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.159 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.88 98.87 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.839 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.3 m -123.34 170.61 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.999 0.428 . . . . 0.0 111.579 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.1 p -138.92 121.48 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.747 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.608 HD11 ' CE2' ' A' ' 115' ' ' PHE . 3.3 mt -86.99 121.1 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.849 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 p -132.22 138.53 47.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 111.263 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 72' ' ' SER . 11.6 p -104.34 131.51 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.708 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -126.62 136.96 53.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.286 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 173.87 -80.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.165 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -96.64 -26.98 15.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.066 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.33 123.07 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.23 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.5 mt -64.03 122.1 14.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.355 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.461 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -138.6 124.56 20.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.083 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.7 m -100.79 141.9 33.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.766 HD11 ' CG2' ' A' ' 81' ' ' ILE . 40.0 tp -73.27 104.98 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.777 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.5 130.27 53.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 p -99.93 101.42 12.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.444 ' OE2' HD12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -66.95 -152.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.425 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.77 -72.12 0.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.665 0.269 . . . . 0.0 111.425 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.74 -6.67 4.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.679 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.7 mt -103.03 159.71 4.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.96 0.409 . . . . 0.0 111.364 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CG2' HD11 ' A' ' 74' ' ' LEU . 33.1 mm -112.92 135.38 52.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.74 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 m -155.31 147.49 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.105 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.834 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -87.72 114.44 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -94.51 124.03 38.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.05 99.6 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.6 ptm -177.82 137.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.5 p30 -76.72 155.08 83.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -62.49 130.78 31.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.483 2.122 . . . . 0.0 112.052 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.22 161.87 20.19 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.524 2.149 . . . . 0.0 112.674 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -88.71 -40.42 13.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.442 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.75 129.27 50.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.318 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.726 HD12 ' CD2' ' A' ' 2' ' ' PHE . 50.2 mt -115.04 -10.38 12.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HA ' ' HB2' ' A' ' 1' ' ' TYR . 0.0 OUTLIER 43.29 29.96 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 111.4 -179.795 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.63 137.07 16.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.6 p -80.61 4.01 20.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 112.042 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.38 99.82 1.32 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.986 0.422 . . . . 0.0 111.564 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.427 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -93.32 173.82 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.637 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.91 -1.07 46.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.418 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 pt -115.71 -27.36 2.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.722 0.296 . . . . 0.0 111.423 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.437 HD13 ' CG2' ' A' ' 63' ' ' THR . 31.1 mm -57.26 142.64 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.962 0.411 . . . . 0.0 111.527 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.623 ' CZ ' HD11 ' A' ' 125' ' ' LEU . 4.8 m-85 -133.59 126.47 31.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.671 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 118' ' ' SER . 1.9 m-85 -85.81 95.61 9.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.334 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.405 ' HG3' ' CE1' ' A' ' 115' ' ' PHE . 8.0 tt0 -95.53 121.97 37.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.274 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.3 143.38 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.974 0.416 . . . . 0.0 111.561 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -59.8 144.76 47.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.462 -179.593 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.468 HG21 ' HG2' ' A' ' 150' ' ' MET . 18.7 t -89.9 137.26 28.37 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.778 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 71.7 Cg_endo -81.65 98.79 1.0 Allowed 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.667 2.245 . . . . 0.0 112.453 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' O ' ' CG ' ' A' ' 109' ' ' HIS . . . -159.66 -68.93 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.471 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.418 ' CG ' ' O ' ' A' ' 108' ' ' GLY . 5.6 m170 -170.03 -54.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -70.57 -178.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -104.59 46.46 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.06 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HD2' HG23 ' A' ' 152' ' ' THR . 30.0 mmmt -81.02 157.99 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.8 mmt -129.32 156.65 43.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -125.97 139.44 53.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.48 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.0 m-85 -99.53 123.01 43.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.8 tt0 -118.69 158.68 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.61 131.61 44.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.454 ' HA ' ' CD2' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -55.68 -35.23 65.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 62.9 m -59.96 -71.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 119' ' ' SER . 57.6 m-85 -159.92 -179.18 7.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.74 -173.8 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.793 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.57 -28.31 16.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -129.36 126.74 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 19.2 m-85 -127.77 137.74 52.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 5.1 mt -67.98 115.0 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -121.0 176.09 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 12.8 p -110.62 129.22 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -115.58 127.96 55.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.438 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -80.04 95.29 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.6 105.75 17.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 59.42 -111.72 0.55 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.756 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -109.61 17.64 21.12 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.666 0.27 . . . . 0.0 111.26 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.533 HD13 HD13 ' A' ' 29' ' ' LEU . 5.9 mt -138.57 137.15 36.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.858 0.361 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.438 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.67 100.18 13.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.593 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.618 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.6 mttt -89.61 130.8 35.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.403 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.604 ' HG ' HD22 ' A' ' 125' ' ' LEU . 1.9 tp -84.37 126.41 33.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.586 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.44 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -132.83 175.56 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 111.108 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.676 ' HB2' HD11 ' A' ' 81' ' ' ILE . 15.3 tp -104.07 111.01 23.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.473 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -145.06 171.64 14.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 96.51 5.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.859 ' CD ' HD13 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -62.85 170.96 2.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.043 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -79.9 -48.88 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.462 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -106.49 123.6 48.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.479 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.699 HD23 ' N ' ' A' ' 144' ' ' LEU . 1.2 mt -68.16 -24.34 64.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.08 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.26 25.09 27.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.29 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.4 132.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -29.09 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -55.01 -27.24 42.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.859 HD13 ' CD ' ' A' ' 141' ' ' GLU . 5.4 pt -113.7 21.58 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.468 ' HG2' HG21 ' A' ' 106' ' ' VAL . 10.4 mtt -116.83 125.68 51.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' CD1' ' A' ' 151' ' ' PHE . 3.9 m-85 -113.95 164.66 13.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -116.31 130.64 56.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.815 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 6.3 t -123.7 125.49 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -122.03 161.91 22.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.719 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -84.96 129.79 34.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -89.4 129.43 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.513 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.77 0.319 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -113.06 161.43 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.41 147.35 18.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -88.19 116.28 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.2 tt -74.85 -58.46 3.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.4 pt-20 -177.46 145.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 t -107.27 134.37 50.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -148.87 166.04 29.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.2 mt -88.29 140.79 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.656 ' O ' HG21 ' A' ' 46' ' ' ILE . 2.0 p -139.77 142.76 36.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.697 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.62 103.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.075 0.464 . . . . 0.0 111.136 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.5 mt -88.51 107.66 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.887 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.6 mtm105 -116.31 169.19 9.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.45 -164.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.8 mm? -74.14 -28.51 61.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.951 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.87 11.53 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.427 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 68.38 39.71 2.17 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.869 0.366 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -110.04 129.9 55.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.3 t -81.91 147.43 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.238 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -75.81 151.99 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -156.78 163.17 39.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.617 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.3 mm -97.0 153.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.784 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.16 179.28 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.27 -19.11 61.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.19 16.38 49.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.855 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 57.91 44.6 19.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.001 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.11 141.51 26.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' C ' HD23 ' A' ' 29' ' ' LEU . 74.4 Cg_endo -75.29 97.77 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 112.321 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 2.2 mt -116.0 134.87 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.692 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 96.4 m-85 -84.34 161.44 20.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.1 149.43 17.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -88.14 122.83 32.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.91 164.33 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 p -97.75 -65.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 58.69 41.16 22.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.55 -56.79 2.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.59 -29.25 14.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.57 -11.85 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.41 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.4 -35.79 60.75 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.892 0.377 . . . . 0.0 111.096 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -64.35 87.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 69.73 49.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.789 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.99 158.22 1.23 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.414 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.11 -62.9 0.23 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.758 2.306 . . . . 0.0 112.524 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -114.79 -176.92 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.9 173.83 10.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.242 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.746 HG23 ' N ' ' A' ' 47' ' ' PHE . 2.7 tt -82.73 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.746 ' N ' HG23 ' A' ' 46' ' ' ILE . 76.3 m-85 -77.9 159.49 28.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 110.778 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.703 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -101.02 125.51 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 11.7 mm -98.46 129.33 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.29 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -111.12 107.3 16.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HA ' HG12 ' A' ' 62' ' ' VAL . 9.8 mtm -80.98 125.93 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -94.37 146.48 24.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 5' ' ' LEU . 3.2 tptm -91.67 108.42 19.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -151.5 152.54 33.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.54 81.18 3.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.816 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -104.84 154.33 38.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.66 -55.95 1.48 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.579 2.186 . . . . 0.0 112.236 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -159.67 79.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.64 113.0 0.5 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.397 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.1 ttp -79.36 107.91 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.98 101.63 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.972 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 51' ' ' MET . 27.4 m -129.05 170.41 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.307 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.448 HG22 ' HA ' ' A' ' 100' ' ' ILE . 80.5 p -142.81 129.07 19.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.719 HD11 ' HE2' ' A' ' 115' ' ' PHE . 2.9 mp -96.43 123.71 48.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.28 141.31 45.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.29 143.62 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.903 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.8 mttt -136.57 141.34 43.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.036 0.446 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.79 -82.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.206 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -95.49 -27.11 15.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.083 0.468 . . . . 0.0 109.996 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.19 122.72 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.165 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.6 mt -66.81 132.17 32.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.091 0.472 . . . . 0.0 111.411 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.2 t -145.8 153.64 41.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.813 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -129.49 139.59 51.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD11 ' CG2' ' A' ' 81' ' ' ILE . 20.5 tp -70.34 115.36 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 p -123.08 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 21.9 p -109.2 101.97 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -54.64 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -97.88 -72.13 0.66 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.909 0.385 . . . . 0.0 110.524 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -6.58 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.136 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.6 mt -107.47 166.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 ' HB2' ' A' ' 138' ' ' LEU . 33.2 mm -113.54 143.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 p -156.72 142.19 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.617 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -83.02 113.39 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -95.1 127.93 41.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -71.31 98.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 1.5 ptm -173.11 131.79 0.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -71.91 145.66 89.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.23 127.34 24.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.161 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 72.5 Cg_endo -76.63 161.05 34.36 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.433 2.088 . . . . 0.0 112.404 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.87 -30.85 15.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -150.63 105.39 3.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.511 HG22 ' H ' ' A' ' 94' ' ' ASP . 14.5 mt -83.51 151.26 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.068 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -78.94 -32.23 45.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.371 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.511 ' H ' HG22 ' A' ' 92' ' ' ILE . 13.0 m-20 -98.27 154.17 17.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.048 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.0 m -80.04 -11.47 59.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.9 100.13 3.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.818 0.342 . . . . 0.0 110.976 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.418 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.89 157.0 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -62.8 -21.37 65.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.4 pt -92.95 -30.98 4.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.292 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.448 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.9 mm -59.34 132.13 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.058 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -127.31 144.1 51.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 118' ' ' SER . 3.6 m-85 -101.97 96.31 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.013 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.834 ' NE2' HG21 ' A' ' 153' ' ' VAL . 2.7 tp-100 -82.3 130.82 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.06 27.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.405 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.4 OUTLIER -63.33 146.66 53.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.453 HG11 ' SD ' ' A' ' 150' ' ' MET . 42.0 t -94.31 140.06 22.65 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -55.95 -166.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.436 2.091 . . . . 0.0 112.253 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.79 -138.04 18.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -118.95 -37.25 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.3 167.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.27 63.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.736 ' HD2' HG23 ' A' ' 152' ' ' THR . 1.7 mmmm -95.51 170.38 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.405 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.4 OUTLIER -150.33 154.9 38.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.253 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -120.38 136.64 54.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.601 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.719 ' HE2' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -95.9 108.1 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -104.89 157.62 17.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.93 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.07 153.55 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 102' ' ' PHE . 2.4 p -71.25 -39.25 71.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.403 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 4.9 t -65.48 -67.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 119' ' ' SER . 85.6 m-85 -159.37 -177.66 6.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.92 -174.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.31 -25.41 15.83 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.634 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -138.16 141.21 40.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.761 0.315 . . . . 0.0 110.802 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 24.3 m-85 -136.64 135.89 38.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 137' ' ' ILE . 3.1 mt -68.2 108.96 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.384 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -111.71 178.65 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.194 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 5.0 p -112.81 153.46 27.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -139.58 129.53 24.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.454 ' CD ' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.94 96.93 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.781 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 107.08 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 60.88 -112.4 0.51 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -109.79 17.7 20.95 Favored 'General case' 0 C--O 1.232 0.133 0 O-C-N 122.345 -0.222 . . . . 0.0 111.486 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.611 HD13 HD13 ' A' ' 29' ' ' LEU . 8.0 mt -137.96 144.57 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.675 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.454 ' CZ ' ' CD ' ' A' ' 129' ' ' LYS . 58.8 m-85 -97.21 101.16 12.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.047 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 1.2 mttt -89.06 144.43 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.355 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.708 ' HG ' HD22 ' A' ' 125' ' ' LEU . 2.7 tp -100.81 128.49 46.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.784 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.737 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -135.04 176.27 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.771 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.6 tp -106.63 113.19 26.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.481 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -152.75 -179.58 7.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.41 . . . . 0.0 111.178 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.13 127.63 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.586 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.563 ' HG3' ' H ' ' A' ' 143' ' ' GLU . 7.0 tp10 -94.11 166.1 12.3 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.465 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 4.5 t70 -79.51 16.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.563 ' H ' ' HG3' ' A' ' 141' ' ' GLU . 28.2 mt-10 -160.84 121.9 2.92 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.88 -22.64 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -96.62 20.43 50.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.374 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 143' ' ' GLU . 3.4 t0 -83.15 124.93 30.98 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.805 0.336 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.11 -31.06 60.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.303 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 9.6 m -53.93 -30.04 44.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.467 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.9 pt -104.05 17.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.484 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.514 ' O ' HD21 ' A' ' 15' ' ' LEU . 23.2 mtm -123.7 126.61 46.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -112.68 177.98 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.736 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.2 OUTLIER -117.11 136.45 52.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.695 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.834 HG21 ' NE2' ' A' ' 103' ' ' GLN . 7.9 t -126.93 120.87 56.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.11 161.94 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.788 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -91.01 133.78 35.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 104.37 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.006 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.82 138.85 14.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -137.33 159.27 24.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt -86.44 129.07 34.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -91.99 -58.0 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.3 pt-20 -175.67 145.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -109.29 135.1 50.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.047 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -150.37 -177.04 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -106.85 120.49 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.577 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -124.42 135.54 53.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.488 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.39 126.73 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.17 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.549 HD11 HD11 ' A' ' 49' ' ' ILE . 26.0 mt -108.99 114.46 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.18 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -117.3 162.59 17.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 45.3 p30 -107.67 -162.35 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.9 mm? -72.95 -28.11 62.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.084 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.58 11.46 19.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.544 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 t70 67.18 31.36 6.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.899 0.38 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -104.72 137.22 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.794 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -83.46 140.8 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.296 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 30' ' ' PHE . 12.2 tp -68.7 119.7 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.19 153.15 45.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.026 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.885 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.7 mm -92.78 150.89 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -109.69 178.06 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -59.55 -20.52 56.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -107.05 22.24 29.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.696 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 60.0 32.59 21.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.818 0.342 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.8 134.49 23.04 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -79.17 94.88 1.06 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.621 2.214 . . . . 0.0 112.436 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 133' ' ' LEU . 1.1 mt -111.88 134.23 53.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.702 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -83.85 125.97 32.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.52 174.73 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -79.63 154.95 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mtp -120.29 90.12 3.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.4 p -106.41 -90.7 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 42.05 33.24 0.36 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.809 0.338 . . . . 0.0 111.304 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.6 m -61.33 -16.69 48.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.669 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -92.95 -36.14 12.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.635 0.255 . . . . 0.0 111.505 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 35.4 t -94.04 -22.95 18.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.719 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.6 ptt85 -50.85 -28.69 10.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.359 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -62.76 -28.41 69.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -140.53 33.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.066 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -105.62 137.65 19.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.222 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -88.31 -23.01 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.819 2.346 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -57.96 146.54 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.879 0.371 . . . . 0.0 111.162 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -162.82 164.71 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.683 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -59.02 173.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.845 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 5.9 m-85 -77.9 152.15 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.95 0.405 . . . . 0.0 110.996 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.589 ' O ' HD13 ' A' ' 49' ' ' ILE . 4.5 mp -81.29 153.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 48' ' ' ILE . 20.2 mm -127.21 118.33 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.982 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.78 122.93 45.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.994 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.43 ' HB2' ' HE3' ' A' ' 51' ' ' MET . 6.5 mtm -94.82 128.69 41.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -96.81 150.38 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.4 tptt -87.39 103.62 15.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -142.95 137.34 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 63.4 m -91.32 50.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.27 148.79 93.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.798 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 -43.49 1.65 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.559 2.172 . . . . 0.0 112.286 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.55 96.27 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.86 131.07 1.78 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.662 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.9 ttp -99.45 125.53 45.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.13 114.43 19.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.5 m -137.3 170.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 p -150.99 119.14 6.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.08 130.59 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.63 142.47 30.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 47' ' ' PHE . 10.9 p -101.86 136.39 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.802 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HG2' HG23 ' A' ' 71' ' ' ILE . 39.5 mtpt -126.85 137.21 53.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.957 0.408 . . . . 0.0 111.326 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t 178.8 -78.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.106 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.28 -28.19 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.173 0.511 . . . . 0.0 109.91 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.77 123.64 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.078 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.444 HG23 ' HG2' ' A' ' 67' ' ' LYS . 10.4 mt -63.6 118.3 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.423 -179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -128.84 148.15 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.816 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -121.14 133.45 55.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.2 tp -67.84 102.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.5 p -110.38 146.83 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.052 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.3 p -115.99 104.84 11.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.744 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -54.85 -101.45 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.058 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -97.82 -70.71 0.71 Allowed 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.979 0.418 . . . . 0.0 110.629 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.542 ' HA ' HD23 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -123.78 -6.61 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.239 179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.2 mt -104.92 171.12 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.803 0.335 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.729 HD11 ' HB2' ' A' ' 138' ' ' LEU . 37.9 mm -117.96 132.4 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -143.79 151.65 40.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.885 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 30.2 m-85 -94.66 121.25 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.42 114.31 28.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -63.78 97.96 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.657 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -172.02 134.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -72.79 143.98 85.15 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.495 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.17 132.29 51.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.582 2.188 . . . . 0.0 112.162 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.37 174.15 13.3 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.456 2.104 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.18 -37.08 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.754 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -136.88 113.88 10.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.569 ' CD1' HD11 ' A' ' 100' ' ' ILE . 35.6 mt -98.24 124.96 51.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -52.35 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.712 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 158.07 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.819 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -86.53 -23.05 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 105.33 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.951 0.405 . . . . 0.0 110.991 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.401 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.87 156.0 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.606 ' OD1' HG23 ' A' ' 99' ' ' ILE . 2.6 p30 -63.38 -26.26 68.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' OD1' ' A' ' 98' ' ' ASP . 44.7 pt -88.6 -32.01 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.162 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.569 HD11 ' CD1' ' A' ' 92' ' ' ILE . 36.3 mm -59.14 135.37 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 13.7 m-85 -129.33 150.42 50.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.807 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -113.61 91.11 3.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.623 ' OE1' HG21 ' A' ' 153' ' ' VAL . 9.1 tt0 -74.73 132.94 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -136.04 116.1 13.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.4 p -58.89 150.04 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.729 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.775 HG11 ' SD ' ' A' ' 150' ' ' MET . 47.8 t -103.11 131.28 22.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.66 168.39 14.31 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.703 2.268 . . . . 0.0 112.204 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 57.55 41.04 93.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -160.71 -176.27 5.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.644 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.31 -79.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -160.11 75.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -105.37 168.97 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -145.63 156.17 43.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.028 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.3 124.27 39.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 61.1 m-85 -88.25 100.69 13.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.723 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -88.8 158.68 18.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.111 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.16 148.19 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.5 p -63.04 -33.78 76.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -66.85 -67.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -155.01 -170.47 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.09 24.73 2.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.461 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -78.36 -11.04 85.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.597 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -149.95 145.35 26.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.789 0.328 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 140' ' ' LYS . 24.0 m-85 -135.2 139.36 44.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.8 mt -63.49 114.3 3.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.797 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -118.44 175.97 5.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 18.3 t -112.34 142.42 44.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -125.22 128.17 47.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.03 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 99.25 9.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.47 109.54 20.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.038 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 57.49 -112.94 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -109.69 17.53 21.18 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.513 0.197 . . . . 0.0 111.409 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.541 HD13 HD13 ' A' ' 29' ' ' LEU . 9.4 mt -135.58 144.73 46.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.991 0.424 . . . . 0.0 111.537 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -96.78 100.74 12.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.123 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.494 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -90.89 132.08 36.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.007 0.432 . . . . 0.0 111.805 -179.001 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 151' ' ' PHE . 4.3 tp -85.8 137.88 32.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.573 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.413 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -148.92 -179.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.127 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.729 ' HB2' HD11 ' A' ' 81' ' ' ILE . 11.5 tp -106.97 119.68 40.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.499 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 16.0 ptmt -157.3 175.35 14.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.323 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -118.79 101.42 8.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.688 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.471 ' HB2' HG21 ' A' ' 149' ' ' ILE . 2.7 mm-40 -60.41 170.41 1.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.79 -30.72 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.53 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -123.49 123.85 41.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.504 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.402 ' CD2' ' HE2' ' A' ' 140' ' ' LYS . 11.4 mt -67.08 -22.8 65.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.986 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.17 24.07 30.5 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.217 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.65 123.06 33.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.459 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.58 -25.56 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.9 p -54.39 -29.2 48.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 111.065 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.549 HG22 ' HB2' ' A' ' 126' ' ' ALA . 21.3 pt -106.73 15.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.432 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.775 ' SD ' HG11 ' A' ' 106' ' ' VAL . 7.0 mtt -111.98 132.18 54.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 136' ' ' LEU . 59.2 m-85 -118.66 173.11 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.3 129.39 52.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.623 HG21 ' OE1' ' A' ' 103' ' ' GLN . 5.1 t -113.86 129.93 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.041 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -123.87 161.9 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.11 131.87 44.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.27 104.1 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 15.5 t0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.989 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.95 0.405 . . . . 0.0 111.386 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -93.96 173.11 7.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.83 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 151.62 23.23 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.519 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -73.24 117.84 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.9 tt -78.42 -53.11 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' HG2' HD22 ' A' ' 5' ' ' LEU . 8.6 pt-20 -176.34 127.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.43 120.54 41.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -142.75 177.28 8.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.976 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 48' ' ' ILE . 15.4 mt -102.29 117.59 35.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.612 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -123.56 134.45 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.639 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 t -81.13 135.01 25.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.14 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.579 ' O ' HG23 ' A' ' 19' ' ' VAL . 59.9 mt -109.26 128.59 65.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.192 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -135.69 161.94 34.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.45 -165.28 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.368 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 147' ' ' ARG . 2.0 mm? -70.41 -28.53 65.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.69 11.94 9.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.42 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 64.47 21.35 12.44 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.33 128.78 41.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.236 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 12' ' ' ILE . 9.9 p -86.25 139.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.294 -179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 8.9 tp -64.51 137.68 57.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -146.46 156.64 43.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.627 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 12.7 mm -99.07 144.03 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.681 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.4 -175.54 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -57.33 -22.03 39.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.16 24.97 29.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.576 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.539 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.5 p-10 44.78 30.42 0.54 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.486 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.96 139.18 21.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 94.99 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.458 2.105 . . . . 0.0 112.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -107.27 153.5 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 17.1 m-85 -100.69 125.04 47.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.74 174.74 10.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -84.13 167.4 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.74 74.07 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.9 p -86.11 153.04 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.42 27.07 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.7 m -97.35 -69.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -92.83 -40.11 10.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.765 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.69 -10.96 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.385 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -52.61 -30.46 31.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.72 0.295 . . . . 0.0 111.092 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -94.74 26.68 3.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.32 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -176.86 47.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.897 0.38 . . . . 0.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.03 145.5 50.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.56 -43.23 0.14 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.672 2.248 . . . . 0.0 112.264 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 62.84 176.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.9 m 67.73 94.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.375 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.612 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -63.26 -172.13 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.204 179.415 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' CZ ' HG12 ' A' ' 22' ' ' ILE . 2.6 m-85 -77.93 144.94 36.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.586 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.5 mp -68.99 133.92 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.223 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.1 mm -111.02 114.61 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.07 125.14 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.74 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.9 mtm -99.95 122.13 42.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.761 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -96.01 144.06 26.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.774 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.2 tptt -75.73 120.3 20.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -141.49 149.83 41.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -102.58 38.73 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.405 ' HB3' ' HD2' ' A' ' 57' ' ' PRO . 14.0 mm100 -73.99 156.02 88.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.748 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 56' ' ' GLN . 10.9 Cg_endo -53.59 -65.54 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.7 2.266 . . . . 0.0 112.305 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -146.84 88.84 1.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.586 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . -172.62 134.57 3.03 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.519 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 ttm -97.89 113.86 25.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.856 0.36 . . . . 0.0 111.073 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 110.06 15.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.999 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.74 HG12 ' HG3' ' A' ' 51' ' ' MET . 21.5 m -126.33 170.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.272 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 100' ' ' ILE . 32.1 p -150.22 117.09 5.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.805 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.04 129.47 38.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.95 128.74 13.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -95.35 139.89 17.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -129.14 133.73 47.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.276 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.05 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -26.77 15.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.121 0.486 . . . . 0.0 109.854 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.32 123.51 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.126 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.5 mt -65.73 118.48 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.341 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.68 132.5 46.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.807 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.2 m -118.62 135.39 54.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.602 HD11 ' CG2' ' A' ' 81' ' ' ILE . 19.5 tp -62.34 106.2 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -118.65 133.46 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.989 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.1 p -95.45 101.56 13.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.774 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.49 -152.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -40.28 -31.96 0.16 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.978 0.418 . . . . 0.0 111.722 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.89 -32.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.807 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 81' ' ' ILE . 9.1 mt -77.77 162.42 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 138' ' ' LEU . 39.9 mm -101.5 137.8 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.5 m -156.69 137.67 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.627 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 23.9 m-85 -76.28 98.1 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.43 118.66 19.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.8 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.05 97.93 0.27 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.7 ptm -177.75 138.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -72.97 139.97 80.29 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.789 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 130.04 37.2 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.462 2.108 . . . . 0.0 112.23 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.51 157.84 57.73 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.36 2.04 . . . . 0.0 112.3 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.78 -38.1 12.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.41 98.56 3.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 100' ' ' ILE . 19.7 mt -82.81 127.81 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -33.09 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 92' ' ' ILE . 6.0 m-20 -89.96 158.15 17.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.1 m -86.96 -16.41 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.361 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.67 101.1 4.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.841 0.353 . . . . 0.0 111.122 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.83 162.65 14.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.72 179.738 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.39 -20.44 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.243 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 pt -96.02 -28.59 3.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.376 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 92' ' ' ILE . 35.5 mm -62.85 137.17 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.259 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -129.43 150.75 50.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.727 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.39 91.96 3.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.282 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -95.04 119.91 34.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.529 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.586 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 12.3 tpt180 -143.52 146.46 33.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.119 0.485 . . . . 0.0 111.03 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -55.93 142.61 34.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.447 HG11 ' SD ' ' A' ' 150' ' ' MET . 3.2 t -94.26 138.96 22.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' A' ' 106' ' ' VAL . 81.0 Cg_endo -85.32 117.94 1.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 109' ' ' HIS . . . 114.91 30.68 2.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.35 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 108' ' ' GLY . 6.7 m-70 -154.0 -175.48 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 110.694 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -70.09 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -154.1 51.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -87.97 160.51 17.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 16.7 mmt -124.12 153.53 41.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.85 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -124.35 129.01 49.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.554 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 25.0 m-85 -96.36 115.05 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.912 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 26.8 tt0 -112.01 158.82 19.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.91 140.33 55.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.838 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.9 p -58.44 -47.51 83.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -70.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -160.09 179.34 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -67.33 -175.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 104.08 -26.6 22.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.481 ' HB3' HD11 ' A' ' 138' ' ' LEU . 6.2 m-85 -134.9 116.05 14.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.322 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 44.8 m-85 -119.29 144.34 46.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.745 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 137' ' ' ILE . 5.2 mt -66.85 138.76 57.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.558 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.5 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -145.03 -177.05 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.289 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 15.1 p -117.98 112.5 20.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.8 129.71 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.448 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.61 104.01 11.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.44 102.34 9.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 21.9 mtt85 60.63 -110.6 0.45 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.656 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -109.64 17.48 21.26 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.599 0.238 . . . . 0.0 111.304 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.4 mt -137.94 141.04 40.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.866 0.365 . . . . 0.0 111.289 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.448 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -98.36 100.25 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.371 179.542 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -87.87 123.84 33.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.258 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.476 HD12 ' O ' ' A' ' 126' ' ' ALA . 1.6 tp -70.12 138.56 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.572 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -149.35 -179.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.804 ' HB2' HD11 ' A' ' 81' ' ' ILE . 13.3 tp -107.52 113.87 27.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.637 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -149.01 174.54 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.08 100.87 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.616 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.725 ' HG3' HG23 ' A' ' 149' ' ' ILE . 7.0 mm-40 -60.36 178.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.812 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.7 -27.49 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.736 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.88 132.82 49.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.615 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.9 mt -71.0 -24.05 62.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.961 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.57 23.21 31.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.347 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.51 121.63 27.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.743 0.306 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.623 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -55.96 -25.68 44.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.269 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 24.6 m -54.76 -32.58 60.13 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.931 0.396 . . . . 0.0 110.589 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.725 HG23 ' HG3' ' A' ' 141' ' ' GLU . 21.9 pt -102.31 16.36 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.048 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.447 ' SD ' HG11 ' A' ' 106' ' ' VAL . 10.5 mtt -111.05 122.34 47.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 151' ' ' PHE . 3.1 m-85 -110.26 167.77 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.746 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.37 132.34 53.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.0 t -113.4 144.67 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -135.14 161.94 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.662 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -86.35 133.16 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.6 93.61 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 34.3 t0 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.922 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.823 0.344 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -107.48 168.55 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -143.82 150.47 22.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -76.3 108.54 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -70.01 -58.49 3.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.52 ' HG2' HD22 ' A' ' 5' ' ' LEU . 6.0 pt-20 -174.97 130.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 t -106.96 124.59 49.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.769 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -150.9 -176.96 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.26 125.24 47.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.624 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -129.96 129.65 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.64 140.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.0 mt -120.73 115.69 47.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.055 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -108.21 165.72 11.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -108.79 -169.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD21 ' O ' ' A' ' 150' ' ' MET . 3.0 mm? -73.31 -23.96 60.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -90.31 11.52 21.06 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.362 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t0 68.65 28.99 5.55 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.766 0.317 . . . . 0.0 111.028 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -92.41 -176.3 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.5 t -131.99 134.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 111.161 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.973 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.5 tp -71.59 125.38 26.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -145.97 160.56 41.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.972 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 83' ' ' PHE . 11.0 mm -91.62 145.57 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -106.14 -175.85 2.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.809 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.5 -20.53 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.47 18.52 44.52 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.724 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.624 ' HA ' HG23 ' A' ' 22' ' ' ILE . 3.8 t-20 57.74 38.71 27.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -106.79 139.69 20.63 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 96.33 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.549 2.166 . . . . 0.0 112.399 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.68 HD13 HD22 ' A' ' 133' ' ' LEU . 8.4 mt -113.78 140.49 48.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.973 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 79.1 m-85 -95.33 129.18 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -147.62 140.64 25.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.31 121.2 14.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.0 mmm -136.77 97.54 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 p -66.31 144.95 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -124.34 27.23 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -97.36 -65.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -95.38 -38.95 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -71.84 -11.0 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.252 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -51.51 -35.82 42.0 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.795 0.331 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -62.53 -34.31 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.78 48.5 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 139.7 61.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.984 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.69 -62.82 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.489 2.126 . . . . 0.0 112.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -155.29 -179.74 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 t -106.88 165.23 11.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -64.26 175.31 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.451 ' H ' HD13 ' A' ' 46' ' ' ILE . 1.9 m-85 -77.9 159.53 28.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 0.0 111.253 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.543 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.7 mp -83.67 142.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 HD12 HG13 ' A' ' 64' ' ' ILE . 27.8 mm -117.14 120.68 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.54 116.95 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.782 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.731 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.1 mtm -89.22 124.88 34.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -99.92 145.35 27.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HA ' HD12 ' A' ' 5' ' ' LEU . 36.1 tptt -81.55 117.71 22.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.92 164.12 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.785 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 t -102.56 3.23 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.444 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -103.13 144.48 28.72 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -88.78 18.54 1.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.977 2.451 . . . . 0.0 112.915 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -147.38 96.67 2.74 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.899 0.38 . . . . 0.0 111.073 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.1 111.67 1.48 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.68 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 ttp -86.07 116.88 24.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.706 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.93 112.65 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG12 ' HG3' ' A' ' 51' ' ' MET . 31.2 m -135.39 168.89 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.16 116.25 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 49' ' ' ILE . 3.5 mp -89.02 130.84 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.12 131.01 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.44 141.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -135.75 139.97 43.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.101 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -75.22 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.32 -25.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.784 178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.61 123.8 4.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.253 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.02 120.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.299 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.3 t -136.88 147.03 46.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.5 m -123.44 144.84 49.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.688 HD11 ' CG2' ' A' ' 81' ' ' ILE . 22.2 tp -77.96 118.22 20.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.5 p -128.16 135.75 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 21.7 p -104.33 101.59 11.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -95.96 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -97.85 -76.59 0.52 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.924 0.393 . . . . 0.0 110.536 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.62 -6.8 9.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.981 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 81' ' ' ILE . 0.8 OUTLIER -107.72 167.37 3.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.688 ' CG2' HD11 ' A' ' 74' ' ' LEU . 37.9 mm -102.99 139.96 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.1 p -143.74 150.07 38.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 22' ' ' ILE . 11.1 m-85 -100.94 123.54 45.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.815 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 118.97 37.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -69.7 99.87 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.426 ' HE3' ' O ' ' A' ' 87' ' ' ASN . 1.4 ptm -176.67 127.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.426 ' O ' ' HE3' ' A' ' 86' ' ' MET . 30.0 p-10 -63.0 153.08 82.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 132.61 30.66 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.55 2.167 . . . . 0.0 112.268 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -80.12 171.32 15.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.555 2.17 . . . . 0.0 112.375 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -97.05 -42.82 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -128.46 125.89 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.8 HG22 ' H ' ' A' ' 94' ' ' ASP . 47.7 mt -109.99 143.81 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.032 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.56 13.78 23.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.75 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.8 ' H ' HG22 ' A' ' 92' ' ' ILE . 2.2 p30 -128.28 143.47 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.778 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.91 -1.73 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.561 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.3 100.02 0.51 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.81 170.84 9.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.956 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 99' ' ' ILE . 15.8 p30 -71.35 -21.38 62.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.458 HG23 ' OD1' ' A' ' 98' ' ' ASP . 4.3 pt -93.73 -30.0 4.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 92' ' ' ILE . 34.3 mm -59.81 135.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -129.69 138.37 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.54 100.23 10.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -85.82 137.89 32.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.44 120.78 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.467 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 1.6 m -54.28 167.12 0.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.633 HG11 ' SD ' ' A' ' 150' ' ' MET . 54.3 t -107.24 136.43 19.53 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.511 ' HD2' HG13 ' A' ' 106' ' ' VAL . 34.1 Cg_endo -69.68 128.77 16.58 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.652 2.235 . . . . 0.0 111.751 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 99.26 -26.64 23.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.582 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -139.47 87.47 2.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.247 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -58.53 -16.57 16.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.706 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -79.64 -11.26 59.87 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.428 ' HD2' HG23 ' A' ' 152' ' ' THR . 27.8 mmmt -105.69 152.48 23.1 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.146 0.498 . . . . 0.0 111.319 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.467 ' HG3' ' HA ' ' A' ' 105' ' ' SER . 0.1 OUTLIER -141.78 167.81 21.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.169 -179.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -132.04 137.34 47.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.467 ' HB3' HD12 ' A' ' 125' ' ' LEU . 10.4 m-85 -96.99 111.44 23.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.9 OUTLIER -107.15 157.42 17.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.4 t -68.3 153.29 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 86.5 p -66.34 -42.45 88.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -57.49 -77.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.07 -178.16 6.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.816 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.98 -175.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.681 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 107.64 -21.78 29.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.691 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -143.34 127.38 17.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.8 0.333 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 144' ' ' LEU . 9.4 m-85 -122.02 140.17 52.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 115' ' ' PHE . 6.4 mt -68.93 110.34 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.699 ' HB3' ' HG2' ' A' ' 139' ' ' LYS . . . -112.22 177.46 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.132 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.3 p -120.4 132.36 55.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 126.8 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 134' ' ' PHE . 0.4 OUTLIER -85.24 106.57 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.808 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -121.18 115.45 23.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.818 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 59.94 -117.48 0.81 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -109.62 17.51 21.25 Favored 'General case' 0 C--O 1.232 0.132 0 O-C-N 122.309 -0.245 . . . . 0.0 111.246 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.68 HD22 HD13 ' A' ' 29' ' ' LEU . 10.1 mt -130.98 142.86 50.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.068 0.461 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 129' ' ' LYS . 0.2 OUTLIER -102.27 100.33 10.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.958 179.257 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.6 166.3 18.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.348 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 126' ' ' ALA . 4.6 tp -119.78 138.13 53.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.69 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.12 175.86 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.433 ' HB2' HD11 ' A' ' 81' ' ' ILE . 14.6 tp -104.54 109.2 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.602 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.699 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.2 ptmt -141.91 176.08 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.458 ' HE2' HD21 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -123.97 99.67 6.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.779 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -60.47 178.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.799 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.88 -26.32 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.637 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -135.6 130.55 34.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 124' ' ' PHE . 17.0 mt -65.89 -23.37 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.95 19.74 50.08 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.288 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -83.91 121.69 27.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.672 0.273 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.49 -25.56 10.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.233 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -55.94 -28.46 57.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.453 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.8 pt -108.61 13.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.633 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.4 mtm -112.73 134.99 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.674 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -124.47 176.99 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.428 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -114.15 128.28 56.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.65 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.6 t -118.73 118.04 56.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.184 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.64 161.3 21.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.05 125.59 37.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.13 104.88 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.893 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.726 0.298 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' CE1' ' O ' ' A' ' 95' ' ' THR . 0.5 OUTLIER -57.55 151.91 15.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.66 164.81 28.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.429 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -86.11 117.94 25.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.58 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -86.77 -57.48 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.58 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.6 pt-20 -171.63 143.49 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 t -110.07 121.09 44.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.777 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -144.85 176.18 9.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.029 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -101.45 148.11 25.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.597 ' O ' HG21 ' A' ' 46' ' ' ILE . 12.5 m -143.17 140.11 30.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.8 t -85.77 104.06 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.061 0.458 . . . . 0.0 111.116 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 49' ' ' ILE . 22.9 mt -87.57 110.21 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HE ' HG22 ' A' ' 19' ' ' VAL . 1.7 mtt180 -111.41 158.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.42 -167.04 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.0 mm? -76.07 -24.95 55.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.074 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.23 11.58 18.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.324 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 70.4 29.83 3.42 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -92.85 -175.2 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.693 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG22 ' HE ' ' A' ' 13' ' ' ARG . 25.9 t -131.84 133.41 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 13.6 tp -64.79 142.82 58.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.52 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.954 0.407 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.756 HG13 HG21 ' A' ' 66' ' ' VAL . 9.3 mm -104.99 145.6 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.641 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.94 -177.83 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.55 -20.19 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.12 19.28 38.0 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.742 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.6 t30 57.87 47.54 15.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.822 0.344 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -108.92 132.86 20.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.96 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' C ' HD23 ' A' ' 29' ' ' LEU . 71.7 Cg_endo -76.59 100.15 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.477 2.118 . . . . 0.0 112.174 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 135' ' ' LYS . 1.3 mt -124.73 145.39 49.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.037 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.828 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 86.0 m-85 -99.35 123.51 43.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -135.88 157.63 46.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -89.53 119.44 29.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.785 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 35.9 mtp -101.9 109.47 21.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.05 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.7 p -98.58 -164.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t0 73.73 24.66 2.12 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.083 0.468 . . . . 0.0 109.894 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -52.57 -23.6 6.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.459 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.98 -41.05 59.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.873 0.368 . . . . 0.0 111.255 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.06 -22.13 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.386 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.4 37.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.084 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -47.67 -29.1 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.41 30.71 6.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.3 149.04 43.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.92 -61.8 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.645 2.23 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.38 135.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.632 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 m -135.48 119.15 17.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.951 0.405 . . . . 0.0 111.327 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.721 HG23 ' N ' ' A' ' 47' ' ' PHE . 4.0 tt -103.28 -155.45 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.122 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.721 ' N ' HG23 ' A' ' 46' ' ' ILE . 43.7 m-85 -77.84 128.04 33.35 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.78 0.324 . . . . 0.0 110.538 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.9 mp -74.05 131.37 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.476 HD11 HD11 ' A' ' 12' ' ' ILE . 16.0 mm -115.59 121.61 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -108.86 122.21 46.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.811 ' HG3' HG12 ' A' ' 62' ' ' VAL . 6.2 mtm -92.41 128.76 38.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -97.01 155.7 16.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 5' ' ' LEU . 39.6 tptt -89.57 111.39 22.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -151.42 131.43 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 m -87.82 85.51 7.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -111.12 152.16 43.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.25 -58.0 1.8 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.579 2.186 . . . . 0.0 112.289 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 96.1 2.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 179.37 138.66 3.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.41 112.06 24.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 0.0 110.977 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.72 104.39 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.811 HG12 ' HG3' ' A' ' 51' ' ' MET . 30.0 m -129.55 170.45 18.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.62 HG21 HD12 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -142.45 116.66 9.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.772 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.423 HG13 HD12 ' A' ' 49' ' ' ILE . 2.7 mp -90.11 134.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 73' ' ' THR . 1.6 t -148.03 146.49 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.756 HG21 HG13 ' A' ' 22' ' ' ILE . 12.6 p -102.18 137.47 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' A' ' 71' ' ' ILE . 27.4 mtpt -131.12 140.63 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 111.346 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.56 -79.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.46 -26.95 14.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.121 0.486 . . . . 0.0 109.848 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.84 123.08 4.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.202 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG23 ' HG2' ' A' ' 67' ' ' LYS . 17.4 mt -65.82 121.82 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.91 0.386 . . . . 0.0 111.336 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.09 129.6 25.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.791 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.459 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 26.5 m -101.75 138.81 38.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.649 HD11 ' CG2' ' A' ' 81' ' ' ILE . 18.4 tp -66.58 103.21 1.02 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.681 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.77 125.87 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.068 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.1 p -101.7 103.26 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.08 -101.3 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -98.15 -69.47 0.76 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.888 0.375 . . . . 0.0 110.51 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.24 -6.73 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.173 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 81' ' ' ILE . 2.7 mt -106.95 164.43 4.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.858 0.361 . . . . 0.0 110.963 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 138' ' ' LEU . 43.5 mm -110.09 131.78 60.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.8 p -139.12 135.78 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.3 m-85 -82.36 113.8 20.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.759 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.77 128.57 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.94 97.91 5.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.803 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.7 ptm -173.99 129.7 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.98 155.73 70.93 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.79 120.6 7.8 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.505 2.136 . . . . 0.0 112.162 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.55 176.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.364 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -109.14 -30.71 7.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.767 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -155.91 92.02 1.33 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.427 HD12 HD11 ' A' ' 100' ' ' ILE . 32.1 mt -75.58 126.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.7 -54.15 48.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.06 158.13 23.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.401 ' O ' ' CE1' ' A' ' 2' ' ' PHE . 46.5 p -86.54 -21.08 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.56 103.29 6.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.423 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.82 161.83 14.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.755 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -69.07 -19.78 64.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.319 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.62 HD12 HG21 ' A' ' 63' ' ' THR . 1.9 pt -97.67 -29.74 3.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.762 0.315 . . . . 0.0 111.355 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 63' ' ' THR . 30.0 mm -59.09 143.32 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -132.81 152.29 51.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -112.1 94.0 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.591 ' NE2' HG21 ' A' ' 153' ' ' VAL . 26.5 tt0 -76.15 135.38 39.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -139.15 116.96 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.051 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 39.0 p -60.56 163.49 5.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.72 HG21 ' SD ' ' A' ' 150' ' ' MET . 42.4 t -112.56 135.98 21.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -80.86 160.0 21.29 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.705 2.27 . . . . 0.0 112.414 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.14 -84.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.75 -47.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -71.95 175.3 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -115.98 52.93 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HZ1' HD13 ' A' ' 15' ' ' LEU . 3.4 mmmm -79.8 164.43 23.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -138.07 164.39 29.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -137.91 133.75 34.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.696 ' CG ' HD12 ' A' ' 125' ' ' LEU . 27.7 m-85 -95.26 126.78 40.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' ' 124' ' ' PHE . 30.0 tt0 -116.01 158.84 22.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 t -65.52 139.81 58.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 93.3 p -59.35 -36.33 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 t -60.88 -69.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -160.02 -178.42 6.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.11 -176.25 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.71 -25.34 15.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -139.54 142.7 37.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.413 ' CE2' ' HB2' ' A' ' 116' ' ' GLU . 13.5 m-85 -139.27 160.35 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.954 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.696 HD12 ' CG ' ' A' ' 115' ' ' PHE . 10.9 mt -70.46 131.61 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.71 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.606 ' HB3' ' CG ' ' A' ' 139' ' ' LYS . . . -137.49 167.85 20.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 p -113.76 125.54 54.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.19 126.89 51.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -82.76 103.25 12.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.765 179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.85 117.07 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 11.1 mtp85 59.37 -117.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.58 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -109.56 17.51 21.29 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.337 -0.227 . . . . 0.0 111.421 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 29' ' ' LEU . 11.8 mt -133.94 144.16 48.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.519 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -101.71 100.34 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.998 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.595 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -83.03 170.92 14.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 111.387 -179.203 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 tp -123.7 134.33 53.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.686 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.42 HD13 ' H ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -145.72 174.76 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.195 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.711 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.8 tp -99.29 106.32 18.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.639 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.606 ' CG ' ' HB3' ' A' ' 126' ' ' ALA . 0.8 OUTLIER -142.58 169.03 18.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.198 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.56 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -124.0 98.9 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.524 ' HG3' HG23 ' A' ' 149' ' ' ILE . 9.8 mm-40 -60.44 176.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -31.33 39.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -115.66 123.7 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 140' ' ' LYS . 7.4 mt -68.67 -24.41 64.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.06 24.81 26.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.326 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -87.62 123.85 32.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -24.14 46.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.5 p -54.84 -29.02 54.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.02 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.524 HG23 ' HG3' ' A' ' 141' ' ' GLU . 46.7 pt -109.93 13.13 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.429 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.72 ' SD ' HG21 ' A' ' 106' ' ' VAL . 6.1 mtm -111.89 133.01 54.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.599 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -125.03 174.61 7.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.23 140.73 48.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.523 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.591 HG21 ' NE2' ' A' ' 103' ' ' GLN . 4.4 t -129.55 118.56 45.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -112.19 161.94 16.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.49 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -89.42 133.78 34.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.086 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.19 96.15 5.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CE2' ' CG ' ' A' ' 52' ' ' TYR . 9.1 t80 -127.0 153.22 46.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.64 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 91' ' ' ASN . . . -159.16 161.41 32.0 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.512 -0.852 . . . . 0.0 112.759 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.57 134.89 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.2 tt -95.71 -49.75 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' HG2' HD22 ' A' ' 5' ' ' LEU . 3.8 pt-20 -177.1 142.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.9 p -109.74 127.73 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 -177.68 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 34.8 mt -107.95 124.5 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.591 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -129.67 133.83 47.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.556 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' HA ' HD12 ' A' ' 46' ' ' ILE . 26.5 t -81.25 133.32 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.5 mt -115.29 108.32 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.049 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -101.9 156.8 17.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.79 -172.86 2.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 147' ' ' ARG . 3.2 mm? -63.18 -30.58 71.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.97 11.48 20.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.364 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.58 29.9 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.33 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -102.16 136.03 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.03 136.83 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 30' ' ' PHE . 19.5 tp -67.92 145.95 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -156.55 166.83 32.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.524 HG23 ' HA ' ' A' ' 26' ' ' ASN . 7.7 mm -101.09 150.35 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.31 -176.33 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -61.56 -19.46 62.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.49 14.49 56.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.723 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.524 ' HA ' HG23 ' A' ' 22' ' ' ILE . 20.9 t-20 55.76 69.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.899 0.38 . . . . 0.0 111.031 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -141.12 141.68 24.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.769 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' C ' HD23 ' A' ' 29' ' ' LEU . 73.7 Cg_endo -74.9 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.49 2.127 . . . . 0.0 112.319 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 133' ' ' LEU . 1.7 mt -114.44 137.18 52.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.762 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CE2' HD13 ' A' ' 20' ' ' LEU . 32.2 m-85 -87.57 124.57 33.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -136.91 166.95 22.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.13 152.37 27.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 29.1 mmm -124.34 133.89 53.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.2 p -101.72 137.45 40.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -132.97 22.94 4.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.7 m -97.42 -62.02 1.31 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.75 -45.99 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.764 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -62.73 -18.08 61.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -51.75 -27.56 12.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.274 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -61.71 83.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.96 46.5 16.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 38' ' ' CYS . . . -61.46 135.64 94.01 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.046 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -90.42 -18.94 1.19 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.841 2.361 . . . . 0.0 112.948 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -56.97 146.86 25.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 111.231 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.64 146.15 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -76.33 -168.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.997 -179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.574 ' N ' HG23 ' A' ' 46' ' ' ILE . 52.3 m-85 -78.19 166.32 22.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.945 0.402 . . . . 0.0 111.063 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -97.63 123.64 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.575 179.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.439 HD12 HG13 ' A' ' 64' ' ' ILE . 23.9 mm -98.12 125.5 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.351 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -108.02 107.59 18.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.797 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.72 ' HG3' HG12 ' A' ' 62' ' ' VAL . 1.5 mtm -80.97 133.45 35.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.505 ' CG ' ' CE2' ' A' ' 2' ' ' PHE . 98.1 m-85 -107.44 162.55 13.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.812 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -87.89 120.91 29.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.731 179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -113.71 138.74 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -68.89 -66.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -86.84 143.83 36.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -74.42 73.39 3.98 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.556 2.171 . . . . 0.0 112.306 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -126.25 79.91 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 81.69 159.66 24.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.584 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.2 ttm -97.14 112.16 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.46 112.27 17.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.72 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.1 m -137.68 170.59 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.512 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.66 121.24 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG13 HD12 ' A' ' 49' ' ' ILE . 3.6 mp -93.29 121.41 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.11 136.71 37.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 13.7 p -92.9 136.3 25.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' HG2' HG23 ' A' ' 71' ' ' ILE . 17.0 mttt -131.83 137.76 48.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.105 0.479 . . . . 0.0 111.314 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 177.65 -78.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.831 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 -27.88 13.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.591 178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.69 127.91 10.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.925 179.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.455 HG23 ' HG2' ' A' ' 67' ' ' LYS . 62.6 mt -77.73 118.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.444 . . . . 0.0 111.295 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 m -133.23 144.42 49.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.0 m -122.78 133.1 54.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.49 HD11 ' CG2' ' A' ' 81' ' ' ILE . 16.9 tp -62.04 116.84 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -123.07 128.73 50.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 20.2 p -95.0 101.47 13.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.68 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.97 -155.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.61 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -42.54 -30.42 0.35 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 111.534 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.0 -31.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.06 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.0 142.85 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 138' ' ' LEU . 36.1 mm -90.26 127.35 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.7 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 86.5 p -147.71 141.15 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.474 ' CE2' HD11 ' A' ' 22' ' ' ILE . 10.7 m-85 -81.38 116.79 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.6 133.05 43.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.57 100.31 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.7 ptm -178.01 129.17 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -66.87 148.62 98.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.46 127.08 24.47 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.456 2.104 . . . . 0.0 112.214 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.67 155.43 59.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.438 2.092 . . . . 0.0 112.209 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -91.2 -29.81 17.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.593 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.404 ' HA ' ' HA2' ' A' ' 3' ' ' GLY . 1.6 t30 -159.69 102.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.547 HG22 ' H ' ' A' ' 94' ' ' ASP . 8.0 mt -81.05 150.96 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.335 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 3.4 pttt -81.63 -30.46 32.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.547 ' H ' HG22 ' A' ' 92' ' ' ILE . 1.4 m-20 -94.97 158.11 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.777 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.6 m -85.78 -12.28 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.409 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 101.7 3.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.903 0.382 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.404 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.82 172.67 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.673 ' OD1' HG23 ' A' ' 99' ' ' ILE . 12.9 p30 -75.7 -18.13 59.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.354 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.673 HG23 ' OD1' ' A' ' 98' ' ' ASP . 33.4 pt -95.76 -30.02 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.872 0.368 . . . . 0.0 111.165 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.443 ' CD1' ' CE2' ' A' ' 52' ' ' TYR . 44.1 mm -59.24 140.58 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -131.49 146.22 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 5.6 m-85 -103.54 93.47 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.505 ' CD ' HG21 ' A' ' 153' ' ' VAL . 24.8 tt0 -94.22 115.66 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.701 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.443 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 7.9 tpt180 -138.7 145.81 40.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.128 0.49 . . . . 0.0 111.191 -179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.406 ' CB ' ' HE2' ' A' ' 113' ' ' MET . 0.7 OUTLIER -58.98 143.94 46.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.149 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.425 ' CG1' ' HD2' ' A' ' 107' ' ' PRO . 5.4 t -93.11 140.13 23.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.009 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 51.3 Cg_exo -53.85 139.24 69.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.422 2.081 . . . . 0.0 112.269 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 141.09 -135.59 7.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.57 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -119.32 -46.58 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -59.35 167.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -99.72 39.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 105' ' ' SER . 14.1 mmmm -66.62 156.53 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.406 ' HE2' ' CB ' ' A' ' 105' ' ' SER . 17.7 mmt -126.43 151.79 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.758 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -123.45 130.05 52.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.448 ' HB3' HD12 ' A' ' 125' ' ' LEU . 8.0 m-85 -96.56 111.51 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.762 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.434 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.4 OUTLIER -110.6 158.56 18.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.938 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 t -67.8 148.81 50.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.436 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 91.0 p -63.49 -41.36 98.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 120' ' ' TYR . 13.2 t -59.21 -76.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.405 ' CG ' ' O ' ' A' ' 119' ' ' SER . 94.7 m-85 -157.51 -176.15 5.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.06 -174.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 101.46 -14.94 57.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.726 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -144.19 117.07 8.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 111.032 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 116' ' ' GLU . 20.6 m-85 -119.51 141.64 49.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 137' ' ' ILE . 6.0 mt -71.41 127.11 31.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.61 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.742 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -132.14 174.06 10.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.228 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 20.7 p -105.74 118.31 36.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.798 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.26 128.26 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 107.79 13.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.75 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -121.3 102.5 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 61.38 -113.4 0.52 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.672 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.52 17.54 21.28 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.599 0.238 . . . . 0.0 111.25 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.631 HD13 HD13 ' A' ' 29' ' ' LEU . 8.4 mt -136.76 139.83 42.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.96 0.409 . . . . 0.0 111.217 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -94.91 100.83 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.239 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.596 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -87.88 123.47 32.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.226 -179.486 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.6 tp -72.96 137.66 45.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.697 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.38 -179.89 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.799 ' HB2' HD11 ' A' ' 81' ' ' ILE . 8.9 tp -113.89 112.73 23.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.427 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.02 176.89 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.322 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.56 93.48 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.539 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.529 ' HG3' HG23 ' A' ' 149' ' ' ILE . 32.2 mm-40 -60.62 173.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.87 -28.35 39.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.47 123.64 41.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.577 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.94 -22.86 62.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.14 22.43 36.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.222 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.15 123.89 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.484 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.65 -26.06 61.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.869 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.7 p -54.85 -28.43 49.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.742 HG22 ' HB2' ' A' ' 126' ' ' ALA . 23.6 pt -105.51 11.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.498 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 24.0 mtt -106.18 148.2 28.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.764 0.316 . . . . 0.0 110.724 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -129.93 171.68 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.18 130.68 52.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.613 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.505 HG21 ' CD ' ' A' ' 103' ' ' GLN . 12.8 t -115.27 143.44 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.308 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.37 161.97 36.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.23 131.33 34.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -93.37 128.6 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.818 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.793 0.33 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.52 160.0 26.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.01 123.03 1.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.416 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HE3' ' CE1' ' A' ' 52' ' ' TYR . 2.3 tpmt? -59.44 118.59 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.901 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.5 tt -81.78 -55.99 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.57 ' HG2' HD22 ' A' ' 5' ' ' LEU . 11.8 pt-20 -176.73 142.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.19 123.79 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HE2' ' HE3' ' A' ' 51' ' ' MET . 35.7 pttt -146.81 158.8 44.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 48' ' ' ILE . 8.6 mt -80.99 123.69 28.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.755 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -129.3 135.49 48.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.591 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.7 t -81.56 130.24 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.022 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 49' ' ' ILE . 35.6 mt -108.74 112.74 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.08 169.85 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.432 ' HB3' ' CD1' ' A' ' 30' ' ' PHE . 49.3 p30 -122.27 -163.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.755 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 15' ' ' LEU . 1.1 mm? -72.62 -26.84 61.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.45 11.51 19.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.419 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 t0 63.95 31.57 13.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.842 0.354 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -107.46 141.88 38.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.58 138.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.569 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 12.2 tp -63.93 131.99 49.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.8 157.19 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.021 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' A' ' 26' ' ' ASN . 9.9 mm -99.7 141.04 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.712 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -105.97 -177.99 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -55.22 -23.47 22.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.42 30.82 8.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.388 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.707 ' HA ' HG23 ' A' ' 22' ' ' ILE . 2.8 p-10 44.93 34.5 1.25 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.796 0.332 . . . . 0.0 111.437 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.06 137.38 22.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.11 97.61 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.531 2.154 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 HD13 HD22 ' A' ' 133' ' ' LEU . 3.0 mt -116.29 134.58 54.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.715 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 93.9 m-85 -83.79 132.46 34.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -137.98 140.72 40.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -79.33 122.63 26.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.38 149.84 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.9 p -87.79 -48.65 7.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t0 59.69 30.51 20.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.81 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -97.29 -58.56 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -91.32 -39.22 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.2 -12.27 60.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.344 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.35 -59.01 2.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.182 0.515 . . . . 0.0 111.141 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.57 48.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.228 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 178.61 38.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.56 143.15 40.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.69 -43.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.523 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -102.9 156.92 17.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 t -145.23 -170.01 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.78 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.755 HD12 ' O ' ' A' ' 10' ' ' SER . 0.1 OUTLIER -71.24 160.97 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.721 ' H ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -77.78 146.93 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.946 0.403 . . . . 0.0 110.944 -179.576 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 49' ' ' ILE . 2.9 mp -72.01 157.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 48' ' ' ILE . 25.4 mm -128.84 121.36 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.012 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.49 114.32 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.491 ' HG3' HG12 ' A' ' 62' ' ' VAL . 7.5 mtm -88.64 129.46 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CE1' ' HE3' ' A' ' 4' ' ' LYS . 13.4 m-85 -102.77 157.11 17.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.043 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' ' 5' ' ' LEU . 18.2 tptt -98.9 115.34 28.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.41 137.51 18.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.0 p -92.13 60.1 3.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -83.57 162.13 54.25 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.17 -59.26 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.642 2.228 . . . . 0.0 112.301 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -161.61 93.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.952 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 177.26 115.91 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.589 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 ttm -74.44 117.1 15.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 118.36 21.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.491 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.2 m -142.29 169.63 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.9 p -147.5 112.45 5.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG12 HD12 ' A' ' 49' ' ' ILE . 5.3 mt -83.86 136.82 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.48 138.66 20.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.105 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 p -94.84 143.82 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.641 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.902 ' HE2' HD13 ' A' ' 71' ' ' ILE . 17.3 mttt -135.49 136.38 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.125 0.488 . . . . 0.0 111.528 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.7 t 179.12 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.851 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -102.18 -26.52 13.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.931 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.15 125.07 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.121 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.902 HD13 ' HE2' ' A' ' 67' ' ' LYS . 18.3 mt -64.76 109.33 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.43 -179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -119.0 145.11 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.9 m -117.95 139.88 50.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.052 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 81' ' ' ILE . 65.0 tp -77.07 109.55 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.581 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.0 p -121.78 145.61 47.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.175 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.519 ' HB3' HD13 ' A' ' 81' ' ' ILE . 27.3 p -109.24 114.96 29.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.697 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.76 -100.98 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.03 -67.77 0.83 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.937 0.398 . . . . 0.0 110.613 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -124.57 -6.52 7.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.361 179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.533 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.4 mt -107.4 169.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.731 0.3 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.74 ' CG2' HD11 ' A' ' 74' ' ' LEU . 41.9 mm -108.59 148.07 12.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.07 162.26 39.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 9.6 m-85 -104.83 118.6 36.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.44 108.63 20.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.99 97.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.696 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -171.18 136.44 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.902 ' ND2' HD12 ' A' ' 71' ' ' ILE . 1.2 m120 -68.93 152.19 96.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.682 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 132.29 31.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.499 2.133 . . . . 0.0 112.187 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -79.63 174.96 11.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.365 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -104.92 -47.46 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.4 mt -85.91 141.72 14.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -32.09 40.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.07 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 92' ' ' ILE . 17.0 m-20 -86.29 149.73 24.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -12.19 57.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 100.16 3.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.405 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -92.88 152.73 19.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -59.54 -24.84 64.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 pt -88.62 -30.76 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.883 0.373 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 97' ' ' SER . 34.7 mm -61.44 128.92 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -126.02 146.66 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.73 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 7.4 m-85 -105.39 91.33 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -75.12 132.36 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.764 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -136.68 120.34 17.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.04 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.4 158.55 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.062 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.669 HG11 ' SD ' ' A' ' 150' ' ' MET . 46.7 t -105.84 133.21 20.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.8 101.5 1.18 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -170.42 -107.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.56 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -116.51 -66.34 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.47 171.12 11.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -97.7 48.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -66.76 164.53 16.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 6.7 mmt -138.82 165.52 26.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.711 ' NE2' HD12 ' A' ' 149' ' ' ILE . 0.7 OUTLIER -138.8 121.98 16.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.695 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.724 ' HB2' HD12 ' A' ' 125' ' ' LEU . 34.6 m-85 -86.03 120.77 27.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 4.5 tt0 -105.01 158.83 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.87 139.31 58.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.413 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 5.9 p -60.48 -42.24 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 t -58.63 -67.06 0.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.06 -179.54 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.036 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -71.67 -175.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.822 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 110.82 -45.82 1.26 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -117.26 128.04 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.79 0.328 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 7.6 m-85 -122.44 150.37 42.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.724 HD12 ' HB2' ' A' ' 115' ' ' PHE . 5.6 mt -67.31 135.93 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.647 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -146.91 160.76 41.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.34 131.45 54.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.709 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -106.1 132.76 51.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -79.46 131.53 36.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.52 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 135' ' ' LYS . 6.4 mt-10 -144.9 95.99 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.976 0.417 . . . . 0.0 111.546 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.412 ' O ' ' NZ ' ' A' ' 129' ' ' LYS . 83.6 mtt180 61.71 -105.85 0.2 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.369 179.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -110.2 17.49 20.9 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 122.244 -0.285 . . . . 0.0 111.695 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.651 HD22 HD13 ' A' ' 29' ' ' LEU . 6.3 mt -138.91 139.55 38.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.154 0.502 . . . . 0.0 111.917 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 129' ' ' LYS . 6.6 m-85 -102.99 100.15 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.326 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.431 ' HD2' ' HB2' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -81.79 171.11 14.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.542 -178.726 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.592 HD11 HD22 ' A' ' 125' ' ' LEU . 13.8 tp -124.74 134.73 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.887 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.16 -179.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.596 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -104.59 118.38 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.623 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.578 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 22.8 ptmt -153.92 177.77 10.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 111.076 -179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 101.7 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.698 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.475 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.5 mm-40 -60.53 171.26 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -29.77 39.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.345 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.8 125.41 42.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.501 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.8 -22.3 66.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.019 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -94.39 21.25 43.72 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.212 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -86.73 121.1 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.611 ' O ' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.94 -25.96 33.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.7 p -54.28 -30.16 49.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.711 HD12 ' NE2' ' A' ' 114' ' ' GLN . 22.6 pt -107.49 15.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.669 ' SD ' HG11 ' A' ' 106' ' ' VAL . 9.2 mtt -110.01 135.84 50.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -123.6 171.5 9.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.68 140.62 52.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 10.7 t -127.98 135.56 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.59 161.84 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.812 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -80.56 132.49 35.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.02 89.53 7.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.835 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.84 159.0 30.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -142.8 165.29 26.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 tpmt? -97.83 114.64 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 HD22 ' HG2' ' A' ' 6' ' ' GLU . 1.3 tt -77.65 -59.03 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HG2' HD22 ' A' ' 5' ' ' LEU . 7.1 pt-20 -172.65 142.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.8 t -112.16 130.56 55.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 176.56 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 48' ' ' ILE . 13.2 mt -94.46 126.18 39.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.59 ' O ' HD12 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -127.36 129.53 47.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.546 179.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -81.48 128.29 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.208 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.7 mt -111.44 116.02 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.088 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -112.63 155.16 24.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.66 -167.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.506 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.0 mm? -68.67 -31.43 70.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -89.81 11.5 19.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 70.38 32.85 2.66 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -100.32 131.81 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.82 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.23 138.79 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.669 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 21.4 tp -77.14 114.98 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.65 158.81 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.849 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.3 mm -89.01 147.72 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.69 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -104.32 177.98 4.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -60.66 -19.72 59.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.86 18.9 36.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.691 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HA ' HG23 ' A' ' 22' ' ' ILE . 9.3 m-80 56.99 64.31 1.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.935 0.398 . . . . 0.0 111.102 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 6.4 mtt85 -133.79 134.59 23.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 27' ' ' ARG . 9.3 Cg_exo -71.97 105.48 1.83 Allowed 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.646 2.231 . . . . 0.0 112.185 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 28' ' ' PRO . 3.6 mt -127.15 133.84 50.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 98.5 m-85 -87.31 133.63 33.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.805 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -158.29 162.15 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.83 159.54 32.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.03 103.11 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.19 -92.95 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.4 38.01 4.86 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.844 0.354 . . . . 0.0 111.173 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.6 m -47.76 -28.68 2.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.31 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -80.86 -30.9 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.3 t -94.0 -11.03 31.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.522 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -46.18 -59.47 2.87 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.395 0.617 . . . . 0.0 110.847 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -62.54 -26.9 68.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -117.13 57.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 111.223 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -162.4 134.49 4.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.245 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -91.81 -12.79 1.9 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.98 2.453 . . . . 0.0 112.83 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 142.04 12.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.933 0.397 . . . . 0.0 111.327 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.3 m -164.62 166.13 20.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.764 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -67.94 177.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.825 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CE1' HG12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -77.99 160.92 27.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.896 0.379 . . . . 0.0 111.289 -179.356 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.462 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.1 mp -88.34 139.85 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.068 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -115.09 133.43 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 m -116.08 124.13 49.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.669 ' HG3' HG12 ' A' ' 62' ' ' VAL . 3.9 mtm -97.59 124.52 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 24.8 m-85 -88.23 152.39 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HA ' HD12 ' A' ' 5' ' ' LEU . 17.1 tptt -99.97 103.54 15.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.54 142.99 23.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -83.27 78.96 9.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -92.92 148.18 35.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.78 -44.06 1.1 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.498 2.132 . . . . 0.0 112.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -156.25 91.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.58 125.24 0.77 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.558 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -89.03 118.85 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.0 104.92 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.669 HG12 ' HG3' ' A' ' 51' ' ' MET . 25.0 m -133.71 166.48 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.557 ' CG2' HD13 ' A' ' 100' ' ' ILE . 22.8 p -148.52 132.5 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 73' ' ' THR . 3.5 mp -99.48 138.99 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.041 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.22 137.98 13.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.43 144.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -132.26 145.84 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.031 0.444 . . . . 0.0 111.353 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.74 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 -25.82 14.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.835 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -158.76 124.76 4.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.202 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.4 mt -68.04 122.37 19.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.3 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -132.1 148.68 52.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.752 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 64' ' ' ILE . 28.3 m -129.33 140.22 51.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 81' ' ' ILE . 18.8 tp -68.75 103.02 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.678 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 130.66 55.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 23.6 p -104.55 105.01 14.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.755 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -54.69 -100.09 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -97.96 -69.17 0.77 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.941 0.4 . . . . 0.0 110.712 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 -6.59 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.282 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -107.94 172.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.877 0.37 . . . . 0.0 110.858 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.682 HG21 HD11 ' A' ' 74' ' ' LEU . 36.9 mm -115.11 139.37 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.1 m -149.01 139.72 22.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.849 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 22.0 m-85 -84.28 115.17 22.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -98.41 125.53 43.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.56 97.96 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.757 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.439 ' HE1' ' HD3' ' A' ' 89' ' ' PRO . 2.0 ptm -175.17 147.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -79.47 154.85 76.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 28.4 Cg_endo -62.95 120.88 8.55 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.59 2.193 . . . . 0.0 112.174 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.439 ' HD3' ' HE1' ' A' ' 86' ' ' MET . 24.4 Cg_exo -62.27 154.79 60.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.379 2.053 . . . . 0.0 112.31 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -96.26 -24.98 15.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.762 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -155.93 87.26 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.7 mt -69.99 148.18 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 35.94 1.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.989 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -148.34 153.42 38.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -85.6 -5.48 59.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.422 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.84 100.01 1.72 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.868 0.366 . . . . 0.0 111.084 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.417 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.95 150.62 20.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -60.41 -22.13 63.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.24 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.426 HD13 ' HE2' ' A' ' 86' ' ' MET . 23.6 pt -92.7 -29.3 4.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.387 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 63' ' ' THR . 32.8 mm -64.7 141.67 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -132.12 153.09 50.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -111.41 96.45 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.175 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.5 129.9 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.747 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -136.7 120.63 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.057 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 98.1 p -56.03 166.88 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.656 HG21 ' SD ' ' A' ' 150' ' ' MET . 41.7 t -116.23 136.22 22.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.416 ' HD2' HG13 ' A' ' 106' ' ' VAL . 91.3 Cg_endo -80.63 143.92 15.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.645 2.23 . . . . 0.0 112.259 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.12 44.3 36.29 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.372 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -159.2 -177.65 6.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.325 . . . . 0.0 110.674 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -72.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -160.12 40.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.57 ' HD2' HG23 ' A' ' 152' ' ' THR . 13.1 mmmm -71.0 154.19 42.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.6 mmt -134.49 168.3 19.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -140.6 126.68 19.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.404 ' HB2' ' HB2' ' A' ' 125' ' ' LEU . 90.2 m-85 -88.1 119.85 28.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.7 tm-20 -108.62 158.74 17.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 135.56 54.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 90.6 p -58.78 -40.68 84.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.401 ' HB3' ' CD1' ' A' ' 120' ' ' TYR . 0.1 OUTLIER -60.62 -72.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 119' ' ' SER . 21.8 p90 -160.05 179.73 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -66.0 -174.47 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.791 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.03 -27.71 18.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -132.52 109.95 10.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.443 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 5.5 m-85 -114.4 146.41 40.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.607 HD22 HD11 ' A' ' 136' ' ' LEU . 1.6 mt -70.4 121.72 18.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.682 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.698 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -129.65 167.16 18.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.6 p -114.08 134.65 54.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -108.45 136.58 47.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HD2' ' CZ ' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -87.02 108.74 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -123.25 107.96 12.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 59.61 -114.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -109.5 17.58 21.24 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.557 0.218 . . . . 0.0 111.252 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.6 mt -131.34 137.58 48.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.023 0.439 . . . . 0.0 111.464 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CZ ' ' HD2' ' A' ' 129' ' ' LYS . 32.1 m-85 -98.22 100.23 11.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.731 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.31 169.86 16.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.34 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 125' ' ' LEU . 4.1 tp -129.58 132.07 46.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.499 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -143.73 178.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.962 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.8 tp -104.96 111.08 23.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.597 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -146.6 177.06 9.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.144 -179.668 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.25 100.08 6.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.684 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.8 mm-40 -60.48 171.57 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -79.96 -30.36 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -125.6 125.23 42.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.423 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -93.6 18.87 55.58 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.322 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -84.03 125.19 31.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.496 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -56.44 -25.79 51.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.143 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.433 ' N ' ' HD3' ' A' ' 147' ' ' ARG . 2.8 p -55.74 -26.59 46.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 126' ' ' ALA . 18.4 pt -108.62 13.9 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.451 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 106' ' ' VAL . 8.7 mtm -117.85 148.16 42.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.732 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 151' ' ' PHE . 2.4 m-85 -137.91 177.83 7.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -122.44 131.76 54.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 11.6 t -119.99 134.89 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -134.08 161.88 33.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.67 132.26 34.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.61 108.16 19.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.885 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.424 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.939 0.4 . . . . 0.0 111.255 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 52' ' ' TYR . 2.1 t80 -137.43 156.67 47.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.312 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 52' ' ' TYR . . . -159.91 179.96 35.11 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.268 -0.968 . . . . 0.0 113.007 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.05 132.0 36.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.969 0.414 . . . . 0.0 111.238 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.8 tt -88.48 -48.65 7.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.643 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' HG2' HD22 ' A' ' 5' ' ' LEU . 4.0 pt-20 -177.28 137.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 132.24 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -149.24 163.88 36.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.443 HD21 HG13 ' A' ' 48' ' ' ILE . 20.9 mt -96.5 122.99 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.65 ' O ' HG21 ' A' ' 46' ' ' ILE . 3.8 m -126.9 136.77 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.62 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.41 ' HA ' HD12 ' A' ' 46' ' ' ILE . 30.9 t -81.13 137.02 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -117.52 112.29 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.337 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG2' HG22 ' A' ' 19' ' ' VAL . 22.8 mtt85 -116.4 145.64 43.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.699 179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.457 ' ND2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 t-20 -85.64 -168.46 2.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 ' N ' HD22 ' A' ' 15' ' ' LEU . 2.9 mm? -74.48 -27.26 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -89.91 11.61 19.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.429 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 71.51 36.67 1.25 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -110.51 129.54 55.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.802 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG22 ' HG2' ' A' ' 13' ' ' ARG . 23.0 t -84.03 135.4 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.45 148.42 37.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -153.82 164.69 37.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.058 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG12 ' CE2' ' A' ' 47' ' ' PHE . 15.4 mm -100.34 151.17 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.801 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -114.74 -179.27 3.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -59.81 -20.38 56.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.06 22.08 23.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.622 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.458 ' HA ' HG23 ' A' ' 22' ' ' ILE . 30.4 m120 58.34 31.85 21.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.796 0.332 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.569 ' HB3' HD21 ' A' ' 29' ' ' LEU . 4.7 mtt-85 -93.36 132.87 29.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.563 ' C ' HD23 ' A' ' 29' ' ' LEU . 68.6 Cg_endo -74.07 97.46 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.384 2.056 . . . . 0.0 112.42 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -117.74 141.07 48.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.681 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CZ ' ' ND2' ' A' ' 14' ' ' ASN . 66.2 m-85 -87.09 133.69 33.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -137.32 170.61 15.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -96.3 127.05 41.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.09 131.65 36.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 38.2 p -97.46 -71.69 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.72 26.71 14.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.6 t -97.37 -67.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.49 -48.55 6.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -17.56 62.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.216 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -47.78 -28.4 2.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.296 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -55.78 -26.35 45.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -138.02 38.22 2.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.101 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.49 137.68 30.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.162 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -87.21 -35.72 0.1 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.861 2.374 . . . . 0.0 112.835 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 76.71 0.34 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.845 0.355 . . . . 0.0 110.653 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 m -131.32 117.73 19.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.65 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -88.44 -166.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.412 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.51 ' N ' HG23 ' A' ' 46' ' ' ILE . 49.7 m-85 -78.04 129.42 35.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.745 0.307 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.623 HD13 ' HG3' ' A' ' 67' ' ' LYS . 4.2 mp -68.06 131.88 33.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.727 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.3 mm -106.41 108.45 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.026 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.19 110.08 22.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.835 ' HG3' HG12 ' A' ' 62' ' ' VAL . 4.7 mtm -81.06 131.03 35.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.652 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 2' ' ' PHE . 8.8 m-85 -102.53 149.03 24.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 5' ' ' LEU . 5.7 tptm -77.59 119.74 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -112.97 127.76 56.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 m -69.06 -40.08 78.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.13 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -94.24 139.05 22.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -80.7 92.48 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -165.37 105.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.98 128.68 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.414 ' HG2' HG13 ' A' ' 62' ' ' VAL . 48.9 ttp -70.81 120.93 17.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.778 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.76 116.5 19.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.835 HG12 ' HG3' ' A' ' 51' ' ' MET . 27.5 m -140.87 170.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.24 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.38 109.29 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.806 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 47' ' ' PHE . 1.7 mp -82.67 125.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.81 139.43 26.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' HB ' ' CD2' ' A' ' 47' ' ' PHE . 11.8 p -97.66 136.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HG3' HD13 ' A' ' 48' ' ' ILE . 10.4 mttp -125.21 137.54 54.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.362 -179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 t 178.8 -83.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -90.04 -32.64 16.64 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.28 123.68 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.549 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.8 mt -63.4 118.09 5.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.225 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.1 m -126.25 137.9 53.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 m -114.47 138.84 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.605 HD11 ' CG2' ' A' ' 81' ' ' ILE . 11.0 tp -74.39 120.87 20.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 t -123.53 141.45 51.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 11.0 p -110.04 101.54 10.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.524 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -69.92 -154.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.731 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -40.79 -31.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 111.612 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.52 -33.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.637 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mt -74.66 148.38 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.886 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.648 HD11 ' HB2' ' A' ' 138' ' ' LEU . 35.9 mm -102.67 137.67 29.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.92 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 m -152.09 145.93 25.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -88.93 105.39 17.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -86.76 123.5 31.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 100.36 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -177.75 124.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -63.01 151.13 86.75 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.88 133.4 41.45 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.451 2.1 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.18 160.54 32.9 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.519 2.146 . . . . 0.0 112.441 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.1 -30.36 19.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.728 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -141.93 124.59 15.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.7 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.44 HD12 ' HD2' ' A' ' 2' ' ' PHE . 6.7 mt -108.57 131.04 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 111.46 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -54.81 -38.54 67.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.985 179.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -105.08 158.14 16.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.43 -17.72 41.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 100.01 5.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.882 0.372 . . . . 0.0 111.214 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.409 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -92.98 165.42 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 179.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -66.75 -16.69 64.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.1 pt -99.91 -29.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.733 0.301 . . . . 0.0 111.28 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 ' CB ' ' A' ' 97' ' ' SER . 33.2 mm -59.03 139.16 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.153 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -132.04 155.24 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.785 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -114.89 102.77 10.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.095 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.512 ' OE1' HG21 ' A' ' 153' ' ' VAL . 11.1 tt0 -86.77 131.92 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.13 121.44 19.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.35 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.4 ' HA ' ' HG3' ' A' ' 113' ' ' MET . 0.8 OUTLIER -58.1 151.07 19.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' SD ' ' A' ' 150' ' ' MET . 48.7 t -89.99 140.1 27.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.2 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.439 ' HD2' HG13 ' A' ' 106' ' ' VAL . 51.5 Cg_exo -54.01 121.97 10.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.453 2.102 . . . . 0.0 112.141 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.32 -50.97 3.65 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.366 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -93.38 82.83 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 0.0 110.666 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -59.4 -18.23 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.406 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -79.75 -19.96 47.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.236 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.406 ' CD ' HG23 ' A' ' 152' ' ' THR . 6.5 mmmm -94.07 153.73 17.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.969 0.414 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.434 ' SD ' HG23 ' A' ' 153' ' ' VAL . 0.7 OUTLIER -146.23 163.61 34.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.211 -179.732 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.619 HE22 HD12 ' A' ' 149' ' ' ILE . 0.5 OUTLIER -127.96 137.11 52.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.002 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.451 ' CE1' HD11 ' A' ' 64' ' ' ILE . 41.2 m-85 -97.09 114.03 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.796 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 1.1 tt0 -108.41 150.95 26.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.94 137.7 58.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -60.12 -32.72 71.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -66.68 -70.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -160.04 173.17 16.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.87 -175.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 105.52 -45.95 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.437 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -115.57 130.66 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.358 . . . . 0.0 110.738 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 18.6 m-85 -127.98 141.54 51.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.632 HD22 ' HG ' ' A' ' 136' ' ' LEU . 4.8 mt -69.95 108.32 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.549 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -112.42 -175.29 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.207 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 6.7 p -117.32 132.21 56.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.834 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.97 125.23 51.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 134' ' ' PHE . 0.1 OUTLIER -78.93 95.61 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.687 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -107.55 110.09 21.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 60.69 -114.04 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.61 17.43 21.33 Favored 'General case' 0 C--O 1.231 0.104 0 O-C-N 122.345 -0.222 . . . . 0.0 111.427 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.679 HD13 HD13 ' A' ' 29' ' ' LEU . 10.0 mt -136.07 139.78 43.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.96 0.409 . . . . 0.0 111.428 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -97.94 100.24 11.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.91 179.247 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -82.62 170.91 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.632 ' HG ' HD22 ' A' ' 125' ' ' LEU . 5.5 tp -115.65 119.91 37.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.543 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -129.26 176.5 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.96 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.648 ' HB2' HD11 ' A' ' 81' ' ' ILE . 17.0 tp -107.49 108.47 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.456 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.446 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -147.29 175.67 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.271 -179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.435 ' HE2' HD22 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -124.04 98.78 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.652 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.616 ' HG3' HG23 ' A' ' 149' ' ' ILE . 66.5 mm-40 -60.31 175.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.0 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.8 -32.39 40.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.644 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -117.33 123.21 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.813 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.486 HD23 ' N ' ' A' ' 144' ' ' LEU . 5.0 mt -69.3 -25.24 64.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.061 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -92.22 17.11 58.09 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.524 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -78.87 119.11 21.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -25.54 11.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.217 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.6 m -53.95 -38.33 64.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.818 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.619 HD12 HE22 ' A' ' 114' ' ' GLN . 38.9 pt -97.08 13.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.308 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . 0.441 ' SD ' HG11 ' A' ' 106' ' ' VAL . 14.4 mtm -116.69 126.99 53.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.655 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -113.13 177.14 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.954 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.406 HG23 ' CD ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -119.63 130.0 54.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.815 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.512 HG21 ' OE1' ' A' ' 103' ' ' GLN . 9.2 t -119.72 127.22 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.046 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.96 161.84 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.92 133.04 33.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.81 112.59 24.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.817 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.849 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 93' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.936 0.398 . . . . 0.0 111.274 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' A' ' 52' ' ' TYR . 4.1 t80 -133.57 154.91 50.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.619 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.65 171.53 36.07 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.767 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.21 133.33 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 53' ' ' LYS . 1.3 tt -92.37 -57.35 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' HD22 ' A' ' 5' ' ' LEU . 5.1 pt-20 -169.73 133.43 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.4 t -101.08 132.25 46.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HE2' ' HE1' ' A' ' 51' ' ' MET . 39.6 pttt -149.75 175.64 11.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -102.84 126.62 50.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.667 ' O ' HG21 ' A' ' 46' ' ' ILE . 1.8 m -128.81 140.54 51.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.479 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.07 137.89 20.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 30' ' ' PHE . 44.8 mt -113.93 108.99 26.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.121 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.43 153.22 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.92 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -110.82 -173.7 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.015 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.599 ' H ' HD22 ' A' ' 15' ' ' LEU . 2.6 mm? -57.79 -24.81 59.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.268 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -88.92 11.31 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.397 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 59.09 25.66 14.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.671 0.272 . . . . 0.0 111.302 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -89.81 -163.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.824 HG11 ' HE1' ' A' ' 33' ' ' MET . 42.2 t -138.42 133.58 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 19.7 tp -59.5 149.86 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.6 164.96 37.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.946 0.403 . . . . 0.0 111.067 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.572 HD11 ' CE2' ' A' ' 83' ' ' PHE . 10.6 mm -99.36 148.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -111.03 171.49 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.0 -25.7 5.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -110.94 38.24 3.38 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' HA ' HG23 ' A' ' 22' ' ' ILE . 1.2 p-10 44.91 35.81 1.66 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.824 0.345 . . . . 0.0 111.48 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.27 129.09 38.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.83 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' C ' HD23 ' A' ' 29' ' ' LEU . 58.8 Cg_endo -71.82 103.09 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.387 2.058 . . . . 0.0 112.215 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.636 HD22 ' HG3' ' A' ' 135' ' ' LYS . 4.2 mt -118.27 139.43 51.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.963 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 12' ' ' ILE . 32.3 m-85 -94.84 119.38 33.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.793 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -148.46 153.18 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.36 143.72 31.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.824 ' HE1' HG11 ' A' ' 19' ' ' VAL . 12.0 mtm -117.61 153.22 33.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 p -124.74 -75.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.815 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.0 36.79 26.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 t -65.15 -20.78 66.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.204 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -95.63 -29.96 14.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 t -94.12 -17.09 23.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.496 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 39' ' ' ARG . 3.5 ptm85 -51.49 -29.02 15.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.712 0.291 . . . . 0.0 111.35 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -59.48 -31.05 68.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -140.22 29.67 2.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -107.36 137.87 19.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' HG3' ' A' ' 44' ' ' ARG . 96.3 Cg_endo -89.11 -20.48 1.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.873 2.382 . . . . 0.0 112.886 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 9.6 ptm180 43.1 91.15 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.945 0.402 . . . . 0.0 111.368 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 m -118.95 121.02 38.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.352 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.667 HG21 ' O ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -85.29 -158.67 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.134 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.615 ' N ' HG23 ' A' ' 46' ' ' ILE . 62.3 m-85 -78.09 149.4 33.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 110.779 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 48' ' ' ILE . 5.0 mp -85.19 128.45 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.23 115.13 47.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.47 110.21 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.967 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.849 ' HG3' HG12 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -82.99 125.93 31.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.79 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' CD2' ' CE2' ' A' ' 2' ' ' PHE . 32.7 m-85 -98.54 158.63 15.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.643 ' HA ' HD12 ' A' ' 5' ' ' LEU . 13.2 tptt -79.53 120.36 23.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.776 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -100.46 153.56 19.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.5 m -87.34 -46.27 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.5 146.44 33.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.58 67.55 7.19 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.635 2.223 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.9 85.6 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' HA2' ' HB2' ' A' ' 104' ' ' ARG . . . 88.99 156.33 31.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.661 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.86 114.19 28.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.761 0.315 . . . . 0.0 111.032 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.01 112.71 17.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG12 ' HG3' ' A' ' 51' ' ' MET . 28.7 m -132.79 170.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.573 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.443 ' CG2' HD13 ' A' ' 100' ' ' ILE . 33.5 p -142.05 118.09 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.67 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.6 mt -91.1 125.12 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.64 133.76 21.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG11 HG13 ' A' ' 22' ' ' ILE . 14.5 p -93.47 144.27 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -136.46 136.79 39.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.402 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.9 t 176.76 -79.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.21 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -94.2 -28.3 15.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.118 0.485 . . . . 0.0 110.008 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.9 123.08 2.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.159 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.8 mt -63.34 121.69 12.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.379 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.33 133.1 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.6 m -114.96 139.24 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.597 HD23 ' CE2' ' A' ' 101' ' ' PHE . 7.0 tp -71.2 105.39 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.777 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -111.34 132.44 54.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 19.9 p -100.67 101.56 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.817 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -157.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -43.7 -30.37 0.62 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.817 0.342 . . . . 0.0 111.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 -32.96 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mt -78.53 147.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.908 HD11 ' HB2' ' A' ' 138' ' ' LEU . 31.6 mm -99.51 138.71 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -159.14 140.01 12.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' HD11 ' A' ' 22' ' ' ILE . 12.0 m-85 -78.28 101.3 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.771 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -81.27 123.46 28.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.73 97.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.8 ptm -177.21 132.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -75.53 146.39 80.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.85 132.76 48.31 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.495 2.13 . . . . 0.0 112.209 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -74.09 159.48 44.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.401 2.067 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.33 -42.19 26.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.685 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -145.55 120.12 9.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.725 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.534 HG22 ' H ' ' A' ' 94' ' ' ASP . 19.9 mt -93.22 147.07 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.312 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -81.86 -34.11 30.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.717 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 92' ' ' ILE . 9.9 m-20 -92.58 151.47 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 m -79.98 -17.58 52.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 101.73 4.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.098 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.4 ' CB ' HG12 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -92.86 170.94 9.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.758 179.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.551 ' OD1' HG23 ' A' ' 99' ' ' ILE . 11.6 p30 -74.53 -23.32 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.551 HG23 ' OD1' ' A' ' 98' ' ' ASP . 2.6 pt -92.89 -28.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.246 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 63' ' ' THR . 40.3 mm -59.68 138.45 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.229 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE2' HD23 ' A' ' 74' ' ' LEU . 56.2 m-85 -131.77 147.12 52.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.719 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CE1' ' HA ' ' A' ' 118' ' ' SER . 3.0 m-85 -105.25 94.57 5.3 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.898 0.38 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 153' ' ' VAL . 5.9 tt0 -94.32 112.72 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.714 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.406 ' HB2' ' HA2' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -125.74 151.71 46.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 91.5 p -70.39 134.52 47.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.92 136.83 28.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.138 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -84.84 173.9 7.87 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.788 2.325 . . . . 0.0 112.371 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 59.02 36.0 86.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -159.93 -176.8 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.778 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -72.92 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -160.03 70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -99.66 174.43 6.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.12 137.36 25.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.187 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -109.26 140.25 43.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.805 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.463 ' CB ' ' HB2' ' A' ' 125' ' ' LEU . 10.4 m-85 -103.16 113.68 27.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 12.5 tt0 -110.45 158.93 17.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.177 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.68 139.14 51.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.51 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.435 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 1.4 t -57.31 -26.59 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.128 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -64.39 -95.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -160.76 84.63 0.69 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.582 0.23 . . . . 0.0 111.313 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 43.98 -171.7 0.01 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.242 0.544 . . . . 0.0 111.642 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 102.96 -27.24 21.08 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.416 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.41 ' HB3' ' CG ' ' A' ' 138' ' ' LEU . 17.6 m-85 -149.47 124.83 10.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 116' ' ' GLU . 43.2 m-85 -117.63 146.43 43.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 115' ' ' PHE . 8.3 mt -73.31 117.95 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.762 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 149' ' ' ILE . . . -121.31 -179.79 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.194 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.88 143.47 45.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.39 124.88 44.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.452 ' HD2' ' CE2' ' A' ' 134' ' ' PHE . 0.0 OUTLIER -81.3 95.55 7.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.83 105.17 14.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.683 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 61.82 -113.44 0.5 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.561 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -109.69 17.55 21.16 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.583 0.23 . . . . 0.0 111.347 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.1 mt -135.43 140.5 44.95 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.989 0.423 . . . . 0.0 111.427 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.452 ' CE2' ' HD2' ' A' ' 129' ' ' LYS . 0.5 OUTLIER -98.47 100.38 11.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.153 179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.636 ' HG3' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -85.87 130.54 34.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.849 0.357 . . . . 0.0 111.351 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.32 127.96 34.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.446 ' HA ' HG13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -136.8 176.75 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.908 ' HB2' HD11 ' A' ' 81' ' ' ILE . 12.5 tp -108.45 109.55 20.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.912 0.386 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 0.6 OUTLIER -144.27 -176.71 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.491 ' HA ' ' HZ2' ' A' ' 140' ' ' LYS . 0.9 OUTLIER -124.04 100.14 6.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.712 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.46 ' HB2' HG21 ' A' ' 149' ' ' ILE . 1.0 OUTLIER -60.32 169.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.92 -30.45 40.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -123.2 123.36 40.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.31 -22.64 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.25 23.88 31.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.141 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -90.25 122.55 33.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.591 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.3 ppt_? -56.14 -25.43 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.284 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.2 m -54.39 -28.85 46.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 126' ' ' ALA . 20.9 pt -105.86 15.37 7.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' MET . . . . . . . . . . . . . 22.0 mtt -113.1 145.47 40.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -134.43 170.5 15.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.65 133.85 54.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 103' ' ' GLN . 2.4 t -119.33 125.71 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.988 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.76 162.11 18.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.51 131.69 34.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.64 113.73 27.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 stop_ save_